3AV7
Crystal structure of Pyrococcus horikoshii kynurenine aminotransferase in complex with PMP, KYN as substrates and KYA as products
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 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 55.619, 136.529, 55.612 |
| Unit cell angles | 90.00, 100.71, 90.00 |
Refinement procedure
| Resolution | 26.690 - 1.840 |
| R-factor | 0.17929 |
| Rwork | 0.176 |
| R-free | 0.23790 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3aov |
| RMSD bond length | 0.025 |
| RMSD bond angle | 2.019 |
| 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] | 40.000 | 1.880 |
| High resolution limit [Å] | 1.840 | 1.850 |
| Rmerge | 0.081 | 0.653 |
| Number of reflections | 67298 | |
| <I/σ(I)> | 1.49 | |
| Completeness [%] | 93.3 | 96.7 |
| Redundancy | 3.5 | 3.5 |
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 polyethylene glycol 1000, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
