Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-10-07 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.918400 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 75.063, 81.774, 80.801 |
Unit cell angles | 90.00, 109.38, 90.00 |
Refinement procedure
Resolution | 44.970 - 2.400 |
Rwork | 0.213 |
R-free | 0.29730 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.567 |
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] | 44.970 | 2.490 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.074 | 0.403 |
Number of reflections | 35959 | 3725 |
<I/σ(I)> | 15 | 4 |
Completeness [%] | 99.3 | |
Redundancy | 6.9 | |
CC(1/2) | 0.998 | 0.938 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 294 | 0.2 M ammonium sulfate 0.1 M sodium acetate (pH 4.6) 20% PEG 2000 MME |