8ABX
Crystal structure of IDO1 in complex with Apoxidole-1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-04-28 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 1 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 106.480, 109.490, 36.310 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.170 - 1.650 |
R-factor | 0.193 |
Rwork | 0.192 |
R-free | 0.21000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | pdbid 4x60 |
Data reduction software | XDS (20220220) |
Data scaling software | XSCALE (20220220) |
Phasing software | PHASER (2.8.3) |
Refinement software | PHENIX (1.20.1-4487_4487) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 38.170 | 38.170 | 1.690 |
High resolution limit [Å] | 1.650 | 7.380 | 1.650 |
Rmerge | 0.142 | 0.111 | 1.452 |
Rmeas | 0.157 | 0.125 | 1.597 |
Total number of observations | 290033 | ||
Number of reflections | 51920 | 674 | 3749 |
<I/σ(I)> | 6.34 | 12.79 | 0.91 |
Completeness [%] | 99.6 | 98.8 | 99.5 |
Redundancy | 5.586 | 4.914 | 5.708 |
CC(1/2) | 0.986 | 0.980 | 0.408 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 40% PEG200, 100mM MES |