Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-03-04 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.91587 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 111.869, 124.348, 217.571 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 83.166 - 2.911 |
R-factor | 0.2447 |
Rwork | 0.243 |
R-free | 0.27820 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 0.920 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | BUSTER (2.11.8) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 83.166 | 3.226 |
High resolution limit [Å] | 2.911 | 2.911 |
Number of reflections | 40849 | 2042 |
<I/σ(I)> | 9.3 | |
Completeness [%] | 94.6 | |
Redundancy | 6.7 | |
CC(1/2) | 0.999 | 0.720 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 297 | 20 % ethanol |