4PK6
Crystal structure of the indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with imidazothiazole derivative
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 | 2012-02-23 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 84.080, 91.120, 135.690 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 75.650 - 3.450 |
| R-factor | 0.19323 |
| Rwork | 0.190 |
| R-free | 0.25604 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.183 |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 91.120 | 3.640 |
| High resolution limit [Å] | 3.450 | 3.450 |
| Rmerge | 0.096 | 0.245 |
| Number of reflections | 14275 | |
| <I/σ(I)> | 3 | 2.2 |
| Completeness [%] | 100.0 | 99.4 |
| Redundancy | 5.8 | 6.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 9 | 293 | 10% polyethylene glycol 20000, 2% Dioxane, 100 mM Bicine |
