Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL02U1 |
Synchrotron site | SSRF |
Beamline | BL02U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-01-13 |
Detector | DECTRIS EIGER2 S 9M |
Wavelength(s) | 0.9791 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 68.816, 72.167, 122.093 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.900 - 1.760 |
R-factor | 0.1964 |
Rwork | 0.195 |
R-free | 0.22380 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.089 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.19.2_4158: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 62.130 | 1.850 |
High resolution limit [Å] | 1.760 | 1.760 |
Number of reflections | 55578 | 8864 |
<I/σ(I)> | 17.8 | |
Completeness [%] | 90.4 | |
Redundancy | 12.6 | |
CC(1/2) | 0.999 | 0.965 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 292 | ammonium tartrate dibasic, PEG 3350 |