5WMV
Structural Insights into Substrate and Inhibitor Binding Sites in Human Indoleamine 2,3-Dioxygenase 1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-03-16 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9794 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 89.092, 97.705, 127.108 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.880 - 2.600 |
R-factor | 0.22248 |
Rwork | 0.220 |
R-free | 0.25998 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2d0t |
RMSD bond length | 0.007 |
RMSD bond angle | 1.189 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.900 | 2.670 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.067 | 1.710 |
Rpim | 0.030 | 0.820 |
Number of reflections | 34774 | 4049 |
<I/σ(I)> | 15.5 | 0.9 |
Completeness [%] | 99.4 | 95.9 |
Redundancy | 6 | 6.1 |
CC(1/2) | 1.000 | 0.510 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 10 | 277 | 100 mM Sodium thiosulfate, 100 mM pH 10.0 CAPS buffer, and 20% (w/v) PEG 8000 |