7RRC
IDO1 IN COMPLEX WITH COMPOUND 14
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 | 2017-09-14 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9999 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 84.950, 91.339, 129.223 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 74.590 - 2.180 |
| R-factor | 0.1873 |
| Rwork | 0.186 |
| R-free | 0.21690 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.300 |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 74.590 | 2.430 |
| High resolution limit [Å] | 2.180 | 2.180 |
| Rmeas | 0.035 | 0.516 |
| Number of reflections | 50323 | 14220 |
| <I/σ(I)> | 22.24 | 3.29 |
| Completeness [%] | 94.7 | 97.5 |
| Redundancy | 3.3 | 3.2 |
| CC(1/2) | 0.999 | 0.999 |
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 |
