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 |