Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-12-09 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.979 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 45.429, 50.443, 64.742 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 22.051 - 1.847 |
R-factor | 0.19967210604 |
Rwork | 0.199 |
R-free | 0.22029 |
Structure solution method | SAD |
RMSD bond length | 0.008 |
RMSD bond angle | 0.969 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.10_2155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 22.051 | 1.920 |
High resolution limit [Å] | 1.846 | 1.850 |
Rmerge | 0.084 | 0.642 |
Rmeas | 0.088 | 0.677 |
Rpim | 0.025 | |
Number of reflections | 11611 | 1238 |
<I/σ(I)> | 4.54 | |
Completeness [%] | 99.3 | 94.6 |
Redundancy | 11.9 | 9.3 |
CC(1/2) | 1.000 | 0.917 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M sodium formate; 20% (w/v) PEG 3,350. |