4PW8
Human tryptophan 2,3-dioxygenase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-10-09 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.9796 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 134.334, 156.922, 160.330 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.728 - 2.902 |
R-factor | 0.2044 |
Rwork | 0.204 |
R-free | 0.22220 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2nw7 |
RMSD bond length | 0.012 |
RMSD bond angle | 1.380 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASES |
Refinement software | PHENIX ((phenix.refine: 1.8.1_1168)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.950 |
High resolution limit [Å] | 2.900 | 2.900 |
Number of reflections | 75459 | |
Completeness [%] | 99.9 | 100 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 289 | 6%-10% MPEG 5000, 10% 2-propanol, 0.1M sodium cacodylate, 0.1M hexammine cobalt(III) chloride, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 289K |