Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-03-30 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9537 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 66.576, 71.301, 177.507 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.930 - 2.010 |
R-factor | 0.2079 |
Rwork | 0.206 |
R-free | 0.23730 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 0.624 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.21rc1_5072) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.660 | 2.060 |
High resolution limit [Å] | 2.010 | 2.010 |
Rmerge | 0.075 | 1.237 |
Rmeas | 0.084 | 1.395 |
Rpim | 0.038 | 0.635 |
Total number of observations | 261353 | 18601 |
Number of reflections | 57245 | 4012 |
<I/σ(I)> | 9.4 | 1.1 |
Completeness [%] | 99.6 | |
Redundancy | 4.6 | 4.6 |
CC(1/2) | 0.993 | 0.680 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.4 | 281 | 0.2 M Sodium Acetate 10% PEG 8000 (w/v) 0.1 M trisodium citrate-citric acid pH 5.4 |