3AOV
Crystal structure of Pyrococcus horikoshii kynurenine aminotransferase in complex with PLP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL38B1 |
Synchrotron site | SPring-8 |
Beamline | BL38B1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-04-08 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.9 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 85.927, 71.055, 136.348 |
Unit cell angles | 90.00, 89.99, 90.00 |
Refinement procedure
Resolution | 26.840 - 1.720 |
R-factor | 0.18611 |
Rwork | 0.184 |
R-free | 0.23156 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1x0m |
RMSD bond length | 0.026 |
RMSD bond angle | 2.121 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | |
High resolution limit [Å] | 1.720 | 1.720 |
Rmerge | 0.071 | 0.567 |
Number of reflections | 86393 | |
<I/σ(I)> | 31.6 | 2.75 |
Completeness [%] | 99.2 | 100 |
Redundancy | 7.5 | 7.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 0.2M magnesium chloride hexahydrate, 0.1M HEPES sodium pH7.5, 30% PEG 400, VAPOR DIFFUSION, SITTING DROP, temperature 277K |