7AH4
Crystal structure of indoleamine 2,3-dioxygenase 1 (IDO1) in complex with ferric heme and MMG-0363
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-05-17 |
Detector | DECTRIS PILATUS 2M-F |
Wavelength(s) | 1 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 86.571, 97.422, 131.739 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.711 - 2.401 |
R-factor | 0.2157 |
Rwork | 0.214 |
R-free | 0.24870 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2d0t |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.711 | 2.490 |
High resolution limit [Å] | 2.401 | 2.401 |
Rmeas | 0.058 | 0.706 |
Number of reflections | 44167 | 30540 |
<I/σ(I)> | 23.67 | |
Completeness [%] | 99.9 | |
Redundancy | 7.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | 15% PEG 4000, 0.1 M Tris pH 7.5, 0.2 M Magnesium chloride hexahydrate |