Table 1 X-ray data-collection and structure refinement statistics
Data collection and processing | |
|---|---|
Processing software | HKL2000 |
Synchrotron, beamline | SSRF, BL17U |
Wavelength (Å) | 0.9791 |
Space group | P21212 |
Unit cell parameters a, b, c (Å, °) | a = 67.49, b = 91.00, c = 54.67 |
Resolution range (Å)1 | 30.0-2.20 (2.28-2.20) |
Unique reflections | 17617 |
Redundancy | 6.4 (6.5) |
Completeness (%) | 99.8 (99.9) |
Rmerge (%) | 12.5 (37.1) |
I/σ(I) | 13.8 (5.0) |
Refinement statistics | |
Refinement software | PHENIX |
Rwork (%)/Rfree(%)2 | 17.7/21.7 |
Average B factor, (Å2) | 17.9 |
RMSD from ideal geometry, bonds (Å) | 0.007 |
RMSD from ideal geometry, angles (°) | 1.023 |
Protein atoms | 2452 |
Water molecules | 225 |
Residues in the Ramachandran plot | |
Most favored region (%) | 92.5 |
Allowed region (%) | 7.5 |
Generously allowed region (%) | 0 |
Disallowed region (%) | 0 |