7Q9Z
Crystal structure of Chromobacterium violaceum aminotransferase in complex with PLP-pyruvate adduct
This is a non-PDB format compatible entry.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-03-02 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 0.9763 |
Spacegroup name | P 1 |
Unit cell lengths | 58.150, 60.720, 61.800 |
Unit cell angles | 71.30, 75.94, 85.73 |
Refinement procedure
Resolution | 56.408 - 1.950 |
Rwork | 0.243 |
R-free | 0.27880 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ah3 |
RMSD bond length | 0.005 |
RMSD bond angle | 1.156 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 56.410 | 1.980 |
High resolution limit [Å] | 1.950 | 1.950 |
Number of reflections | 55363 | 2719 |
<I/σ(I)> | 8.8 | |
Completeness [%] | 97.8 | |
Redundancy | 3.6 | |
CC(1/2) | 0.998 | 0.322 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 291 | 12.5% w/v PEG 1000, 12.5% w/v PEG 3350, 12.5% v/v (RS)-2-methyl-2,4-pentanediol (MPD) 0.03M of each of sodium nitrate, disodium hydrogen phosphate and ammonium sulfate in 0.1M MES/imidazole pH6.5 buffer.5 mM PLP and 5 mM pyruvate |