Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-08-10 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.976 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 57.775, 59.438, 145.624 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 59.438 - 1.730 |
Rwork | 0.197 |
R-free | 0.22340 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 1.403 |
Data reduction software | xia2 |
Data scaling software | DIALS |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 59.520 | 1.760 |
High resolution limit [Å] | 1.730 | 1.730 |
Rmerge | 0.105 | |
Rpim | 0.031 | |
Number of reflections | 53452 | 2634 |
<I/σ(I)> | 11.5 | |
Completeness [%] | 100.0 | |
Redundancy | 12.5 | |
CC(1/2) | 0.999 | 0.700 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | PEG 4000 |