5WMW
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 | 2016-06-03 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9794 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 88.192, 97.907, 127.863 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.080 - 3.030 |
R-factor | 0.216 |
Rwork | 0.212 |
R-free | 0.25872 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2d0t |
RMSD bond length | 0.007 |
RMSD bond angle | 1.020 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER (2.7.17) |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.080 | 3.110 |
High resolution limit [Å] | 3.030 | 3.030 |
Rmerge | 0.087 | 1.120 |
Rpim | 0.042 | 0.550 |
Number of reflections | 21897 | 4049 |
<I/σ(I)> | 14.1 | 1.4 |
Completeness [%] | 99.8 | 98.5 |
Redundancy | 6 | 5.9 |
CC(1/2) | 1.000 | 0.620 |
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 |