2ARD
The structure of tryptophan 7-halogenase (PrnA) suggests a mechanism for regioselective chlorination
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2004-09-20 |
| Detector | RIGAKU RAXIS II |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 68.300, 68.300, 274.900 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 54.800 - 2.600 |
| R-factor | 0.21 |
| Rwork | 0.211 |
| R-free | 0.27300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ar8 |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.800 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK (8.0SSI) |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 54.820 | 2.690 |
| High resolution limit [Å] | 2.590 | 2.590 |
| Rmerge | 0.092 | 0.321 |
| <I/σ(I)> | 8 | 3.3 |
| Completeness [%] | 98.2 | 96.3 |
| Redundancy | 3.97 | 3.87 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 8% PEG20000, 0.1M Mes pH6.5, 5mM FAD, 30mM sodium dithionite , VAPOR DIFFUSION, SITTING DROP, temperature 293K |
