7B1O
Crystal structure of the indoleamine 2,3-dioxygenase 1 (IDO1) in complex with compound 22
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-12-07 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.999999701977 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 84.560, 91.526, 130.279 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 74.890 - 2.580 |
| R-factor | 0.2172 |
| Rwork | 0.216 |
| R-free | 0.24280 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.184 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 74.890 | 10.000 |
| High resolution limit [Å] | 2.580 | 2.580 |
| Rmerge | 5.100 | 0.420 |
| Number of reflections | 32082 | 307900 |
| <I/σ(I)> | 5.41 | |
| Completeness [%] | 98.7 | 95.8 |
| Redundancy | 5 | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 0.1 mM Tris pH 8.0, 18% (w/v) PEG6000, 0.2 M NaCl |
