2WEU
Crystal structure of tryptophan 5-halogenase (PyrH) complex with substrate tryptophan
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 142.700, 141.080, 122.950 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 100.500 - 1.700 |
| R-factor | 0.216 |
| Rwork | 0.215 |
| R-free | 0.24800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2aqj |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.289 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0070) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 1.900 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.080 | 0.220 |
| Number of reflections | 228784 | |
| <I/σ(I)> | 12.6 | 4.3 |
| Completeness [%] | 98.6 | 98.7 |
| Redundancy | 4.7 | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.2 | 0.05M SODIUM CACODYLATE BUFFER PH6.2, 1.4M LI2SO4 0.01M MGCL2 |
