3DC1
Crystal structure of kynurenine aminotransferase II complex with alpha-ketoglutarate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 200 |
| Detector technology | CCD |
| Collection date | 2007-07-02 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.08090 |
| Spacegroup name | P 1 |
| Unit cell lengths | 60.930, 72.090, 109.079 |
| Unit cell angles | 89.97, 100.65, 93.88 |
Refinement procedure
| Resolution | 29.690 - 2.500 |
| R-factor | 0.21681 |
| Rwork | 0.215 |
| R-free | 0.24412 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2r2n |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.857 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASES |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.690 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.106 | 0.295 |
| Number of reflections | 63835 | |
| <I/σ(I)> | 89.6 | 15.7 |
| Completeness [%] | 59.7 | |
| Redundancy | 3.4 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | 100mM HEPES, 15% PEG 10000, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
