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 | 2021-05-12 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97628 |
Spacegroup name | P 1 |
Unit cell lengths | 49.245, 59.679, 81.171 |
Unit cell angles | 78.79, 81.72, 76.03 |
Refinement procedure
Resolution | 28.410 - 2.500 |
Rwork | 0.178 |
R-free | 0.24530 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.002 |
RMSD bond angle | 1.226 |
Data reduction software | xia2 |
Data scaling software | Aimless (0.7.7) |
Phasing software | PHASER (2.8.3) |
Refinement software | REFMAC (5.8.0415) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 28.410 | 2.600 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.051 | 0.225 |
Number of reflections | 29822 | 3405 |
<I/σ(I)> | 9.2 | 2.9 |
Completeness [%] | 98.4 | 97.9 |
Redundancy | 3.2 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | Reservoir: 33% PEG 400, 0.2 M magnesium chloride, and 0.1 M tris pH 8.0 |