7BXP
2-amino-3-ketobutyrate CoA ligase from Cupriavidus necator
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-5A |
Synchrotron site | Photon Factory |
Beamline | BL-5A |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-11-14 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 58.376, 105.847, 67.744 |
Unit cell angles | 90.00, 105.79, 90.00 |
Refinement procedure
Resolution | 41.090 - 1.800 |
R-factor | 0.1656 |
Rwork | 0.164 |
R-free | 0.19490 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1fc4 |
RMSD bond length | 0.006 |
RMSD bond angle | 0.788 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.100 | 1.870 |
High resolution limit [Å] | 1.800 | 1.800 |
Number of reflections | 73094 | 10613 |
<I/σ(I)> | 22.6 | |
Completeness [%] | 99.9 | |
Redundancy | 6.8 | |
CC(1/2) | 0.999 | 0.937 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 295 | 0.2 M Ammonium acetate, 0.1 M Sodium citrate tribasic dehydrate pH 5.6, 30% w/v PEG400, 4% w/v PEG P 400 |