Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 1 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-04-05 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97855 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 111.348, 125.097, 218.005 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.946 - 2.803 |
R-factor | 0.2421 |
Rwork | 0.240 |
R-free | 0.28040 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 0.930 |
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] | 38.946 | 3.113 |
High resolution limit [Å] | 2.803 | 2.803 |
Number of reflections | 38581 | 1930 |
<I/σ(I)> | 10.7 | |
Completeness [%] | 94.8 | |
Redundancy | 6.7 | |
CC(1/2) | 0.999 | 0.946 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 15% ethanol |