Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-03-23 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97946 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 66.240, 84.140, 127.800 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 52.050 - 1.650 |
R-factor | 0.1867 |
Rwork | 0.185 |
R-free | 0.22650 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.013 |
RMSD bond angle | 1.200 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 52.050 | 1.709 |
High resolution limit [Å] | 1.650 | 1.650 |
Rmerge | 0.066 | 2.286 |
Rmeas | 0.072 | 2.470 |
Rpim | 0.028 | 0.928 |
Number of reflections | 85162 | 8346 |
<I/σ(I)> | 14.21 | 0.87 |
Completeness [%] | 98.4 | |
Redundancy | 6.7 | |
CC(1/2) | 0.999 | 0.469 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.1 M Tris, pH 8.0, 25% PEG4000 |