7RRD
IDO1 IN COMPLEX WITH COMPOUND S-1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-03-21 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 85.895, 95.125, 129.325 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 76.630 - 2.760 |
| R-factor | 0.2155 |
| Rwork | 0.214 |
| R-free | 0.26130 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.092 |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 76.630 | 3.010 |
| High resolution limit [Å] | 2.760 | 2.760 |
| Rmeas | 0.065 | 0.495 |
| Number of reflections | 27668 | 6251 |
| <I/σ(I)> | 17.28 | 3.3 |
| Completeness [%] | 99.1 | 99.8 |
| Redundancy | 4.2 | 4.3 |
| CC(1/2) | 0.999 | 0.998 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 0.1 MM TRIS PH 8.0, 20% (W/V) PEG6000, 0.2 M NACL |
