2D0U
Crystal structure of cyanide bound form of human indoleamine 2,3-dioxygenase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44B2 |
| Synchrotron site | SPring-8 |
| Beamline | BL44B2 |
| Temperature [K] | 90 |
| Detector technology | CCD |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.9785 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 86.352, 97.089, 129.378 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.730 - 3.400 |
| R-factor | 0.249 |
| Rwork | 0.213 |
| R-free | 0.25400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2d0t |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.500 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.520 |
| High resolution limit [Å] | 3.400 | 3.400 |
| Rmerge | 0.096 | 0.341 |
| Number of reflections | 14518 | |
| <I/σ(I)> | 12.3 | 3.6 |
| Completeness [%] | 93.4 | 94.4 |
| Redundancy | 5.3 | 5.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9 | 293 | PEG 8000, CHES, ammonium acetate, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
