4GE4
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 32 2 1 |
Unit cell lengths | 111.944, 111.944, 137.508 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 34.840 - 2.410 |
R-factor | 0.1881 |
Rwork | 0.187 |
R-free | 0.21280 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ue8 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.180 |
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] | 137.508 | 137.508 | 2.540 |
High resolution limit [Å] | 2.405 | 7.610 | 2.400 |
Rmerge | 0.033 | 0.497 | |
Total number of observations | 12769 | 63123 | |
Number of reflections | 39279 | ||
<I/σ(I)> | 23.7 | 17.9 | 1.5 |
Completeness [%] | 100.0 | 99.4 | 100 |
Redundancy | 10.9 | 9.4 | 11.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |