6WPE
HUMAN IDO1 IN COMPLEX WITH COMPOUND 4
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-01-28 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.92819 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 86.463, 93.499, 131.358 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 76.170 - 2.430 |
R-factor | 0.1988 |
Rwork | 0.198 |
R-free | 0.23500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | previously solved structure |
RMSD bond length | 0.007 |
RMSD bond angle | 1.105 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 76.170 | 2.680 |
High resolution limit [Å] | 2.430 | 2.430 |
Rmeas | 0.040 | 0.403 |
Number of reflections | 39371 | 10045 |
<I/σ(I)> | 20.2 | 3.38 |
Completeness [%] | 97.4 | 98.2 |
Redundancy | 2.9 | 2.8 |
CC(1/2) | 0.999 | 0.870 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293 | 0.1 mM Tris pH 8.0, 20% (w/v) PEG6000, 0.2 M NaCl |