2NW7
Crystal Structure of Tryptophan 2,3-dioxygenase (TDO) from Xanthomonas campestris in complex with ferric heme. Northeast Structural Genomics Target XcR13
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4A |
| Synchrotron site | NSLS |
| Beamline | X4A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-09-15 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.97900 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 88.939, 109.359, 125.513 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.430 - 2.700 |
| R-factor | 0.257 |
| Rwork | 0.257 |
| R-free | 0.26300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1yw0 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.200 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | COMO |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.430 | 2.690 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.130 | 0.368 |
| Number of reflections | 37833 | |
| <I/σ(I)> | 10.4 | 2.74 |
| Completeness [%] | 98.7 | 94.4 |
| Redundancy | 4.4 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.15 | 293 | 50mM MES, 12% PEG1000, 60mM Manganese chloride, pH 6.15, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
