Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL41XU |
Synchrotron site | SPring-8 |
Beamline | BL41XU |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-12-14 |
Detector | DECTRIS EIGER X 4M |
Wavelength(s) | 0.9000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 80.822, 132.812, 146.833 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 14.995 - 1.820 |
Rwork | 0.160 |
R-free | 0.18860 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.013 |
RMSD bond angle | 1.726 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.850 |
High resolution limit [Å] | 1.820 | 1.820 |
Number of reflections | 141893 | 6988 |
<I/σ(I)> | 14.6 | |
Completeness [%] | 100.0 | |
Redundancy | 13.3 | |
CC(1/2) | 0.990 | 0.790 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | COUNTER-DIFFUSION | 293 | 20% (w/v) PEG6000, 0.1 M sodium acetate, 0.01 M ZnCl2 |