Table 2 |
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Data collection and refinement statistics. |
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rkbPAP-sulfate |
rkbPAP-fluoride |
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Crystal Parameters |
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Unit cell lengths (Å) |
a = b = 148.03 c = 160.09 |
a = 85.72 b = 188.45 c = 192.40 |
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Unit cell angle (°) |
α = β = γ = 90.0 |
α = β = γ = 90.0 |
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Space group |
I41 |
P212121 |
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Crystal dimensions (mm) |
0.5 × 0.2 × 0.2 |
0.5 × 0.3 × 0.3 |
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Diffraction Dataa |
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Temperature (K) |
293 |
100 |
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Resolution Range (Å) |
50.0 – 2.40 |
50.0 – 2.20 |
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Observations (I > 0σ (I)) |
152,476 |
425,475 |
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Unique reflections (I > 0σ (I)) |
55,092 |
142,147 |
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Completeness (%) |
82.0 (52.0) |
89.4 (65.1) |
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Rsymb |
0.115 (0.302) |
0.075 (0.34) |
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Refinement |
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cRfactor |
0.1712 |
0.2237 |
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Rfree |
0.2113 |
0.2543 |
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RMSDd bond lengths (Å) |
0.007 |
0.007 |
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RMSDd bond angles (°) |
1.285 |
1.233 |
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Ramachandran Plot (%) |
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Most favoured |
83.2 |
83.3 |
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Additionally allowed |
15.1 |
15.1 |
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Generously allowed |
1.2 |
1.2 |
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Disallowed |
0.5 |
0.7 |
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aValues in parentheses are for the outer resolution shells. bRsym = Σh Σi|Ih,i - <Ih>|/Σh Σi Ih,i where Ih,i is the intensity of the ith measurement of reflection h and <Ih> is the average value over multiple measurements. cRfactor = Σ||Fobs|-|Fcalc||/Σ|Fobs|, where the R-factor is calculated based on the reflections used in the refinement (90% of the total data) and R-free is calculated using the remaining 10% of the data. dRMSD = root mean square deviation. |
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Schenk et al. BMC Structural Biology 2008 8:6 doi:10.1186/1472-6807-8-6 |
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