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 | 2021-03-27 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 90.609, 97.197, 117.583 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 58.780 - 2.370 |
Rwork | 0.213 |
R-free | 0.24900 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 1.241 |
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] | 58.780 | 2.180 |
High resolution limit [Å] | 2.140 | 2.140 |
Rpim | 0.088 | |
Number of reflections | 57917 | 2847 |
<I/σ(I)> | 6.5 | |
Completeness [%] | 100.0 | |
Redundancy | 13.7 | |
CC(1/2) | 0.996 | 0.324 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | NaCl, potassium citrate pH 4.2, PEG 8000 |