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|
Crystal
|
Apo
|
3’SL complex
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6’SL complex
|
|---|
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Data collectiona
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|
Space group and cell dimensions (Å,°)
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P21
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P21
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P21
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a = 39.2, b = 67.0, c = 66.8, β = 92.3
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a = 42.6, b = 44.5, c = 43.0, β = 97.0
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a = 42.5, b = 44.6, c = 43.0, β = 97.0
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Resolution (Å)
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67.0-1.8
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44.5-1.8
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44.6-1.8
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|
Unique reflections
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29,236
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12,926
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13,634
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Completeness (%)
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97 (74)
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92 (76)
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97 (83)
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Redundancy
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2.5 (2.0)
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2.4 (1.7)
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3.0 (2.2)
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R-mergeb
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0.031 (0.069)
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0.069 (0.108)
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0.049 (0.093)
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I/σI
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43.9 (22.7)
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38.7 (16.8)
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44.1 (16.8)
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Refinement
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|
Reflections used
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27,743
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12,277
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12,950
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Number of protein atoms
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2,986
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1,532
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1,528
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Number of ligand atoms
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-
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43
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43
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Number of waters
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403
|
166
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148
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R-factorc
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0.163
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0.143
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0.150
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R-freed
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0.218
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0.198
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0.195
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rmsd bond lengths (Å)
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0.02
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0.02
|
0.02
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rmsd bond angles (°)
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2.10
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2.04
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2.08
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Average B-factors (Å2)
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|
all atoms
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16.3
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15.2
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15.9
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ligand atoms
|
-
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27.8
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32.4
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|
waters
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28.5
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27.8
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26.4
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Molprobity score
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1.80
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1.20
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1.40
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Ramachandran favoured/outliers (%)
|
97/0
|
98/0
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97/0
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-
aNumbers in parentheses refer to the highest resolution shell
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bR-merge = Σhkl Σi | Ihkl, i - < Ihkl > | / Σhkl < Ihkl>
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cR-factor = (Σ | |Fo| - |Fc| |) / (Σ |Fo|)
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dTest set comprised 5 % of reflections
