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 |
