7NGE
Crystal structure of L-Trp/Indoleamine 2,3-dioxygenagse 1 (hIDO1) complex with the JK-loop refined in the closed 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) | 0.979 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 81.360, 114.670, 219.670 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.870 - 2.300 |
R-factor | 0.2162 |
Rwork | 0.215 |
R-free | 0.27070 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7a62 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.126 |
Data reduction software | XDS |
Data scaling software | STARANISO |
Phasing software | PHASER |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.870 | 2.384 |
High resolution limit [Å] | 2.300 | 2.301 |
Rmerge | 0.207 | 2.655 |
Rmeas | 0.217 | 2.778 |
Rpim | 0.063 | 0.810 |
Number of reflections | 91724 | 8917 |
<I/σ(I)> | 10.43 | 0.97 |
Completeness [%] | 99.6 | 97.63 |
Redundancy | 12.2 | 11.6 |
CC(1/2) | 0.998 | 0.541 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 15.4% PEG 3350 0.1M Phosphate buffer pH 6.0 Protein : 5mM HEPES pH 7.4, 200mM NaCl, 5mM DTT |