Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U1 |
Synchrotron site | SSRF |
Beamline | BL17U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-05-18 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.979 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 157.259, 278.003, 354.657 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.570 - 2.790 |
R-factor | 0.2457 |
Rwork | 0.244 |
R-free | 0.27850 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5jhl |
RMSD bond length | 0.004 |
RMSD bond angle | 0.780 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.19_4092) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.900 |
High resolution limit [Å] | 2.790 | 2.800 |
Rmerge | 0.184 | |
Rmeas | 0.888 | |
Number of reflections | 191067 | 18252 |
<I/σ(I)> | 10.7 | |
Completeness [%] | 99.6 | 95.9 |
Redundancy | 7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 289.5 | 1% (w/v) tryptone, 0.05 M Na-HEPES, pH 7.0, and 12% (w/v) PEG 3,350 |