Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM30A |
Synchrotron site | ESRF |
Beamline | BM30A |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-07-15 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9697 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 124.295, 61.445, 79.932 |
Unit cell angles | 90.00, 117.49, 90.00 |
Refinement procedure
Resolution | 70.910 - 2.090 |
R-factor | 0.211 |
Rwork | 0.209 |
R-free | 0.24940 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 0.987 |
Data reduction software | XDS |
Data scaling software | pointless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 70.910 | 2.160 |
High resolution limit [Å] | 2.090 | 2.090 |
Number of reflections | 31749 | 3133 |
<I/σ(I)> | 8.98 | |
Completeness [%] | 99.6 | |
Redundancy | 3 | |
CC(1/2) | 0.996 | 0.723 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 288 | 2.8M sodium formate |