4GE9
Kynurenine Aminotransferase II Inhibitors
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 69.155, 107.050, 116.599 |
| Unit cell angles | 90.00, 94.52, 90.00 |
Refinement procedure
| Resolution | 35.580 - 2.430 |
| R-factor | 0.1781 |
| Rwork | 0.175 |
| R-free | 0.22950 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.240 |
| Data reduction software | XDS |
| Data scaling software | SCALA (3.3.16) |
| Phasing software | PHASER |
| Refinement software | BUSTER-TNT (BUSTER 2.9.3) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 116.237 | 116.237 | 2.560 |
| High resolution limit [Å] | 2.425 | 7.670 | 2.420 |
| Rmerge | 0.039 | 0.489 | |
| Total number of observations | 7172 | 31721 | |
| Number of reflections | 63063 | ||
| <I/σ(I)> | 8 | 13.6 | 1.4 |
| Completeness [%] | 98.1 | 98.1 | 97.7 |
| Redundancy | 3.6 | 3.5 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
