3WX9
Crystal structure of Pyrococcus horikoshii kynurenine aminotransferase in complex with PMP, GLA, 4AD, 2OG, GLU and KYA
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 | 2010-06-24 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 85.769, 70.997, 136.704 |
| Unit cell angles | 90.00, 90.02, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.580 |
| R-factor | 0.18288 |
| Rwork | 0.180 |
| R-free | 0.22975 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3aov |
| RMSD bond length | 0.030 |
| RMSD bond angle | 2.503 |
| 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 | 1.640 |
| High resolution limit [Å] | 1.580 | 1.580 |
| Rmerge | 0.049 | 0.545 |
| Number of reflections | 109166 | |
| <I/σ(I)> | 2.07 | |
| Completeness [%] | 96.8 | 99.3 |
| Redundancy | 3.5 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 277 | 0.1M imidazole pH 8.0, 0.2M calcium acetate, 20% w/v PEG 1000, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
