7E0O
Crystal Structure of Human Indoleamine 2,3-dioxygenagse 1 (hIDO1) Complexed with 6-Bromo-1H-indazol-4-amine (1)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 195 |
Detector technology | PIXEL |
Collection date | 2020-12-10 |
Detector | DECTRIS PILATUS3 X CdTe 1M |
Wavelength(s) | 0.97918 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 85.594, 96.793, 130.983 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 65.492 - 3.337 |
R-factor | 0.2205 |
Rwork | 0.211 |
R-free | 0.30180 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5etw |
RMSD bond length | 0.019 |
RMSD bond angle | 1.703 |
Data reduction software | AutoProcess |
Data scaling software | Web-Ice |
Phasing software | PHASER |
Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 71.652 | 3.394 |
High resolution limit [Å] | 3.337 | 3.337 |
Number of reflections | 15866 | 10709 |
<I/σ(I)> | 12.2 | |
Completeness [%] | 96.8 | |
Redundancy | 13.37 | |
CC(1/2) | 0.998 | 0.902 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 15% to 23% PEG 8000, 0.2M ammonium acetate |