Table 1.
Data collection and refinement statistics
Data collection | |
X-ray source | SPring8 BL41XU |
Wavelength (Å) | 1.0000 |
Space group | P212121 |
Unit-cell parameter | a=65.2 Å; b=74.8 Å; c=83.0 Å |
Resolution (Å) | 50.0–2.20 (2.23–2.20) |
Unique reflections | 21 280 |
Total reflections | 762 438 |
Completeness (%) | 94.7 (88.2) |
I/σ (I) | 10.7 (2.6) |
Rsym | 0.098 (0.340) |
Refinement | |
Number of atoms: protein, water | 3091, 156 |
r.m.s.d. bond length (Å) | 0.006 |
r.m.s.d. bond angle (deg) | 1.28 |
Average B factors: protein, water | 30.1, 32.4 |
Residues in core region (%) | 95.9 |
Residues in additionally allowed region (%) | 4.1 |
Residues in generously allowed region (%) | 0.0 |
Residues in disallowed region (%) | 0.0 |
Rwork, Rfree | 0.216, 0.268 |
The numbers in parentheses are for the highest resolution shell. | |
Rsym=Σ∣Iavg−Ii∣/ΣIi. | |
Rcullis=Σ∣∣FPH−FP∣−∣FH(calc)∣∣/Σ∣FPH∣. | |
Rwork=Σ∣Fo−Fc∣/ΣFo for reflections of working set. | |
Rfree=Σ∣Fo−Fc∣/ΣFo for reflections of test set (5% of total unique reflections). |