6O3I
Crystal Structure of Human IDO1 bound to navoximod (NLG-919)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-2 |
Synchrotron site | SSRL |
Beamline | BL12-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-02-04 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 85.062, 90.224, 130.237 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 74.170 - 2.690 |
R-factor | 0.2187 |
Rwork | 0.216 |
R-free | 0.26390 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.009 |
RMSD bond angle | 1.040 |
Data reduction software | XDS |
Data scaling software | Aimless (0.2.8) |
Phasing software | PHASER |
Refinement software | BUSTER (2.11.5) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 85.060 | 85.060 | 2.830 |
High resolution limit [Å] | 2.680 | 8.480 | 2.680 |
Rmerge | 0.059 | 0.023 | 0.631 |
Rmeas | 0.064 | 0.025 | 0.689 |
Rpim | 0.025 | 0.010 | 0.273 |
Number of reflections | 28655 | 1022 | 4130 |
<I/σ(I)> | 20.6 | ||
Completeness [%] | 99.6 | 99.2 | 99.9 |
Redundancy | 6.4 | 5.5 | 6.2 |
CC(1/2) | 0.999 | 1.000 | 0.906 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 0.1 M Bis Tris propane pH 6.5, 20% PEG 3350, 0.2 M potassium thiocyanate |