8FUR
Crystal structure of human IDO1 with compound 11
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-09-02 |
| Detector | RIGAKU SATURN 92 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 203.882, 120.287, 100.821 |
| Unit cell angles | 90.00, 119.38, 90.00 |
Refinement procedure
| Resolution | 19.760 - 2.285 |
| R-factor | 0.28 |
| Rwork | 0.279 |
| R-free | 0.29990 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.840 |
| Data reduction software | autoPROC |
| Data scaling software | autoPROC |
| Phasing software | PHASER |
| Refinement software | BUSTER |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.760 | 2.620 |
| High resolution limit [Å] | 2.285 | 2.285 |
| Number of reflections | 54213 | 2708 |
| <I/σ(I)> | 11.8 | 1.8 |
| Completeness [%] | 88.6 | 45.3 |
| Redundancy | 3.7 | 3.03 |
| CC(1/2) | 0.998 | 0.537 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 295 | 0.2 M ammonium citrate tribasic pH 7.0, 21% (w/v) PEG 3,350 |
