6X5Y
IDO1 in complex with compound 4
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 | 2017-10-11 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.99994 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 84.940, 92.157, 130.126 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 75.210 - 2.650 |
| R-factor | 0.2408 |
| Rwork | 0.240 |
| R-free | 0.27230 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | previously solved complex |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.306 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 75.210 | 2.900 |
| High resolution limit [Å] | 2.650 | 2.650 |
| Rmeas | 0.047 | 0.521 |
| Number of reflections | 29971 | 6969 |
| <I/σ(I)> | 19.57 | 2.79 |
| Completeness [%] | 98.7 | 98.6 |
| Redundancy | 3.3 | 3.2 |
| CC(1/2) | 0.999 | 0.869 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 0.1 mM Tris pH 8.0, 20% (w/v) PEG 6000 |
