2D0U
Crystal structure of cyanide bound form of human indoleamine 2,3-dioxygenase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL44B2 |
Synchrotron site | SPring-8 |
Beamline | BL44B2 |
Temperature [K] | 90 |
Detector technology | CCD |
Detector | MARRESEARCH |
Wavelength(s) | 0.9785 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 86.352, 97.089, 129.378 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.730 - 3.400 |
R-factor | 0.249 |
Rwork | 0.213 |
R-free | 0.25400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2d0t |
RMSD bond length | 0.011 |
RMSD bond angle | 1.500 |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 3.520 |
High resolution limit [Å] | 3.400 | 3.400 |
Rmerge | 0.096 | 0.341 |
Number of reflections | 14518 | |
<I/σ(I)> | 12.3 | 3.6 |
Completeness [%] | 93.4 | 94.4 |
Redundancy | 5.3 | 5.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 9 | 293 | PEG 8000, CHES, ammonium acetate, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |