Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-04-19 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 55.068, 98.956, 59.102 |
Unit cell angles | 90.00, 107.50, 90.00 |
Refinement procedure
Resolution | 46.390 - 1.860 |
R-factor | 0.1631 |
Rwork | 0.161 |
R-free | 0.20600 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.012 |
RMSD bond angle | 1.140 |
Data reduction software | autoPROC |
Data scaling software | autoPROC |
Phasing software | PHENIX |
Refinement software | PHENIX (1.21.1_5286) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.390 | 1.928 |
High resolution limit [Å] | 1.860 | 1.862 |
Number of reflections | 50064 | 4977 |
<I/σ(I)> | 10.7 | |
Completeness [%] | 99.0 | |
Redundancy | 3.5 | |
CC(1/2) | 0.997 | 0.880 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 296 | 20% PEG 3350, 0.1M Bis-Tris Propane pH 6.5, 0.2M Sodium Acetate |