2NW9
Crystal Structure of Tryptophan 2,3-dioxygenase (TDO) from Xanthomonas campestris in complex with ferrous heme and 6-fluoro-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 | 114.212, 114.212, 96.095 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 26.380 - 1.800 |
| R-factor | 0.166 |
| Rwork | 0.166 |
| R-free | 0.18400 |
| 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] | 26.380 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.086 | 0.609 |
| Number of reflections | 67279 | |
| <I/σ(I)> | 19.97 | 2.5 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 7.4 | 7.3 |
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, 8mM 6-fluoro-D/L-tryptophan, pH 6.3, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
