Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-02-05 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.000 |
Spacegroup name | P 63 2 2 |
Unit cell lengths | 68.920, 68.920, 107.170 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 39.870 - 1.900 |
R-factor | 0.2379 |
Rwork | 0.237 |
R-free | 0.25060 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7KGL |
RMSD bond length | 0.006 |
RMSD bond angle | 0.951 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 1.970 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.074 | 1.800 |
Rmeas | 0.077 | |
Rpim | 0.022 | |
Number of reflections | 12360 | 1025 |
<I/σ(I)> | 15.19 | 0.69 |
Completeness [%] | 94.5 | 85 |
Redundancy | 12.4 | 12.6 |
CC(1/2) | 0.999 | 0.526 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 20% PEG 4000, 0.1M MES pH 6.0, 0.2M LiSO4 |