2AR8
The structure of tryptophan 7-halogenase (PrnA)suggests a mechanism for regioselective chlorination
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-11-19 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.933 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 67.128, 67.128, 275.702 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 54.400 - 2.200 |
| R-factor | 0.173 |
| Rwork | 0.172 |
| R-free | 0.21700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2aqj |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.458 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 54.400 | 2.320 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.115 | 0.375 |
| Number of reflections | 33547 | |
| <I/σ(I)> | 4.5 | 1.8 |
| Completeness [%] | 99.7 | 98.7 |
| Redundancy | 14.1 | 13.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 8% PEG20000, 0.1M Mes pH6.5, 20mM 7-chlorotryptophan, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
