7UI3
Apo-form of Human Tryptophan 2,3-Dioxygenase Induced by NADH Binding
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-11-21 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.549750 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 143.855, 156.264, 88.986 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.974 - 3.180 |
Rwork | 0.244 |
R-free | 0.27830 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6pyz |
RMSD bond length | 0.004 |
RMSD bond angle | 1.276 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 19.974 | 19.970 | 3.340 |
High resolution limit [Å] | 3.180 | 10.550 | 3.180 |
Rmerge | 0.098 | 0.032 | 2.888 |
Rmeas | 0.106 | 0.034 | 3.115 |
Rpim | 0.040 | 0.012 | 1.163 |
Number of reflections | 34269 | 893 | 4497 |
<I/σ(I)> | 18.5 | ||
Completeness [%] | 99.5 | ||
Redundancy | 12.9 | 13.2 | 13.8 |
CC(1/2) | 1.000 | 1.000 | 0.644 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 5.6 | 293 | 50 mM Sodium Citrate, pH 5.6 2% Tacsimate PEG 3350 (4-12%) |