7P0N
Crystal structure of L-Trp/Indoleamine 2,3-dioxygenagse 1 (hIDO1) complex with the JK-loop refined in the open conformation
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 2 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-07-05 |
Detector | DECTRIS EIGER2 X 9M |
Wavelength(s) | 0.98012 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 81.360, 114.570, 220.980 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.290 - 2.500 |
R-factor | 0.2182 |
Rwork | 0.215 |
R-free | 0.27880 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7a62 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.121 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.290 | 2.593 |
High resolution limit [Å] | 2.500 | 2.504 |
Number of reflections | 71786 | 7022 |
<I/σ(I)> | 6.7 | 0.95 |
Completeness [%] | 99.3 | 97.88 |
Redundancy | 7 | |
CC(1/2) | 0.995 | 0.606 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.4 | 298 | 14.5% PEG 3350 0.1M Phosphate buffer 2mM L-Trp Protein buffer : Hepes 5mM, 200mM NaCl, 5mM DTT Cryoprotection: 20 mM sodium dithionite, 20% glycerol |