8XHK
Crystal structure of alpha-Oxoamine Synthase Alb29 with PLP cofactor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-10-13 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97853 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 65.110, 110.590, 354.667 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.190 - 2.790 |
R-factor | 0.2063 |
Rwork | 0.203 |
R-free | 0.25490 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 8i7u |
RMSD bond length | 0.002 |
RMSD bond angle | 0.487 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.0.32) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.890 |
High resolution limit [Å] | 2.790 | 2.790 |
Rmerge | 0.095 | 0.997 |
Rmeas | 0.099 | |
Rpim | 0.029 | 0.299 |
Number of reflections | 62296 | 6367 |
<I/σ(I)> | 18.78 | 2.82 |
Completeness [%] | 99.5 | 99.58 |
Redundancy | 11.8 | 11.8 |
CC(1/2) | 0.990 | 0.906 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIQUID DIFFUSION | 293.15 | 0.03M MgCl2, 0.03M CaCl2, 0.1M MES-Imidazole, pH 6.5, 20% Glycerol, 10%(w/v)PEG4000 |