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 | 2020-06-13 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.979 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 96.201, 34.566, 81.299 |
Unit cell angles | 90.00, 124.58, 90.00 |
Refinement procedure
Resolution | 39.601 - 1.310 |
R-factor | 0.1571 |
Rwork | 0.156 |
R-free | 0.18480 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7CQ9 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.954 |
Data reduction software | HKL-3000 |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2-4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.250 |
High resolution limit [Å] | 1.230 | 1.230 |
Number of reflections | 63673 | 3175 |
<I/σ(I)> | 18.28 | |
Completeness [%] | 98.9 | |
Redundancy | 6.3 | |
CC(1/2) | 0.968 | 0.816 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293 | 0.2M MgCl2, 0.1M Tris pH 8.5, 20% PEG 8000 |