2D0T
Crystal structure of 4-phenylimidazole bound form of human indoleamine 2,3-dioxygenase
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL26B1 |
| Synchrotron site | SPring-8 |
| Beamline | BL26B1 |
| Temperature [K] | 90 |
| Detector technology | CCD |
| Collection date | 2003-10-03 |
| Detector | RIGAKU JUPITER 210 |
| Wavelength(s) | 0.9780, 1.7377, 1.7400, 1.7350, 1.7420, 1.7388 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 86.070, 98.027, 130.951 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.940 - 2.300 |
| R-factor | 0.242 |
| Rwork | 0.191 |
| R-free | 0.22100 |
| Structure solution method | MAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.400 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | SHARP |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.380 |
| High resolution limit [Å] | 2.200 | 2.300 |
| Rmerge | 0.053 | 0.283 |
| Number of reflections | 48799 | |
| <I/σ(I)> | 16.3 | 1.95 |
| Completeness [%] | 86.1 | 50.7 |
| Redundancy | 4.8 | 3 |
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 |
