3FVU
Crystal Structure of Human Kynurenine Aminotransferase I in Complex with Indole-3-acetic Acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-06-27 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0809 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 106.364, 108.454, 81.867 |
| Unit cell angles | 90.00, 114.20, 90.00 |
Refinement procedure
| Resolution | 29.220 - 1.550 |
| R-factor | 0.18581 |
| Rwork | 0.185 |
| R-free | 0.21014 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1w7l |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.330 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.610 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.049 | 0.520 |
| Number of reflections | 122095 | |
| <I/σ(I)> | 3.8 | |
| Redundancy | 7.3 | 6.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 22% PEG 400, sodium acetate 0.2 M, Tris 0.1 M, 4% glycerol, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
