7P46
Crystal Structure of Xanthomonas campestris Tryptophan 2,3-dioxygenase (TDO)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM14 |
Synchrotron site | ESRF |
Beamline | BM14 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2011-02-21 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 0.97828 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 78.095, 117.752, 138.819 |
Unit cell angles | 90.00, 95.52, 90.00 |
Refinement procedure
Resolution | 89.780 - 1.700 |
R-factor | 0.1507 |
Rwork | 0.149 |
R-free | 0.18510 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2nw8 |
RMSD bond length | 0.012 |
RMSD bond angle | 1.692 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 117.000 | 1.790 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.055 | 2.900 |
Number of reflections | 268120 | 34391 |
<I/σ(I)> | 13.4 | |
Completeness [%] | 98.0 | |
Redundancy | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | PEG 1000, MES (2-(N-morpholino)ethanesulfonic acid) pH 6.3, bicine (N,N-bis(2-hydroxyethyl)glycine) pH 9.0, MnCl2, MgCl2, sodium cyanide and L-Trp |