Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.1 |
Synchrotron site | ALS |
Beamline | 5.0.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-09-08 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97741 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 41.269, 44.360, 58.250 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.290 - 1.470 |
R-factor | 0.206 |
Rwork | 0.205 |
R-free | 0.23350 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.572 |
Data reduction software | MOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.360 | 1.500 |
High resolution limit [Å] | 1.470 | 1.470 |
Rmerge | 0.050 | 0.804 |
Number of reflections | 18834 | 911 |
<I/σ(I)> | 24.5 | 3 |
Completeness [%] | 100.0 | 99.5 |
Redundancy | 12.4 | 12.7 |
CC(1/2) | 0.990 | 0.850 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | 2.0 M Ammonium sulfate 0.2M Sodium/Potassium Tartrate |