6UD5
Crystal structure of human tryptophan 2,3-dioxygenase in complex with carbon monoxide and tryptophan
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-04-08 |
| Detector | RAYONIX MX325HE |
| Wavelength(s) | 0.97931 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 144.725, 154.493, 88.306 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.970 - 2.050 |
| R-factor | 0.1846 |
| Rwork | 0.183 |
| R-free | 0.21740 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5ti9 |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.232 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0253) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.970 | 2.160 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Number of reflections | 120121 | 16664 |
| <I/σ(I)> | 7.9 | 1.9 |
| Completeness [%] | 96.7 | |
| Redundancy | 6.7 | |
| CC(1/2) | 0.990 | 0.590 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 5 | 298 | 50 mM sodium citrate, pH 5.6, 2% Tacsimate, pH 5.0, 5% PEG3350 |
