Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL18U1 |
Synchrotron site | SSRF |
Beamline | BL18U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-07-13 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.979 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 129.310, 168.473, 41.492 |
Unit cell angles | 90.00, 90.06, 90.00 |
Refinement procedure
Resolution | 38.480 - 2.790 |
R-factor | 0.1916 |
Rwork | 0.190 |
R-free | 0.21850 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7CQ9 |
RMSD bond length | 0.003 |
RMSD bond angle | 0.548 |
Data reduction software | HKL-3000 (v705c) |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 2.900 |
High resolution limit [Å] | 2.790 | 2.800 |
Rmerge | 0.060 | |
Number of reflections | 21080 | 1712 |
<I/σ(I)> | 16.91 | |
Completeness [%] | 95.6 | |
Redundancy | 3.4 | |
CC(1/2) | 0.918 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 8 | 293 | 0.1M Tris pH 8.0, 1.6M Li2SO4 |