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 | 2019-07-25 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 172.647, 38.624, 97.780 |
Unit cell angles | 90.00, 104.89, 90.00 |
Refinement procedure
Resolution | 94.500 - 1.914 |
R-factor | 0.2316 |
Rwork | 0.230 |
R-free | 0.26200 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 0.850 |
Data reduction software | autoPROC |
Data scaling software | autoPROC ((Version 1.1.7)) |
Phasing software | PHASER |
Refinement software | BUSTER (2.11.8 (23-JAN-2024)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 94.500 | 2.120 |
High resolution limit [Å] | 1.910 | 1.910 |
Number of reflections | 30288 | 1514 |
<I/σ(I)> | 9.5 | |
Completeness [%] | 62.1 | |
Redundancy | 6.2 | |
CC(1/2) | 0.998 | 0.968 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | 25-30% PEG 3350, 50 mM potassium phosphate, pH 7.5 |