Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, DESY BEAMLINE P11 |
Synchrotron site | PETRA III, DESY |
Beamline | P11 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-10-23 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.033220 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 153.857, 49.506, 41.863 |
Unit cell angles | 90.00, 98.50, 90.00 |
Refinement procedure
Resolution | 38.860 - 1.500 |
Rwork | 0.146 |
R-free | 0.16280 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.014 |
RMSD bond angle | 1.782 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.860 | 1.530 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.056 | 0.176 |
Number of reflections | 47923 | 1966 |
<I/σ(I)> | 27.9 | |
Completeness [%] | 96.2 | |
Redundancy | 12.8 | |
CC(1/2) | 0.999 | 0.989 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | PEG 6000, Tris, calcium chloride dihydrate |