2NW8
Crystal Structure of Tryptophan 2,3-dioxygenase (TDO) from Xanthomonas campestris in complex with ferrous heme and tryptophan. Northeast Structural Genomics Target XcR13.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-06-20 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97900 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 114.093, 114.094, 96.227 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.680 - 1.600 |
| R-factor | 0.171 |
| Rwork | 0.171 |
| R-free | 0.18900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1yw0 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.000 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.540 | 1.660 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.069 | 0.527 |
| Number of reflections | 94048 | |
| <I/σ(I)> | 23.8 | 2.93 |
| Completeness [%] | 98.5 | 99 |
| Redundancy | 7.5 | 7.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.3 | 293 | 100mM MES, 10% PEG4000, 60mM Manganese chloride, 10mM Sodium dithionite, 2mM L-tryptophan, pH 6.3, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
