6R63
Crystal structure of indoleamine 2,3-dioxygenase 1 (IDO1) in complex with ferric heme and MMG-0358
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 | 2017-12-20 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 1 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 90.910, 97.870, 119.235 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.450 - 2.894 |
R-factor | 0.2384 |
Rwork | 0.234 |
R-free | 0.28650 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2d0t |
RMSD bond length | 0.003 |
RMSD bond angle | 0.676 |
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] | 45.450 | 3.070 |
High resolution limit [Å] | 2.890 | 2.890 |
Rmeas | 0.145 | |
Number of reflections | 24124 | 3692 |
<I/σ(I)> | 10.92 | |
Completeness [%] | 99.0 | 95.8 |
Redundancy | 7.976 | 7.71 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | 20% PEG 1500, 0.1 M Tris pH 8.5, 0.15 M Potassium thiocyanate |