2APG
The structure of tryptophan 7-halogenase (PrnA)suggests a mechanism for regioselective chlorination
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.2 |
| Synchrotron site | BESSY |
| Beamline | 14.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-10-04 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.933 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 67.520, 67.520, 275.019 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 69.010 - 1.900 |
| R-factor | 0.175 |
| Rwork | 0.176 |
| R-free | 0.21100 |
| Structure solution method | MAD |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.544 |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.2.0007) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 69.010 | 1.949 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.132 | 0.564 |
| Number of reflections | 48481 | |
| <I/σ(I)> | 3.8 | 1 |
| Completeness [%] | 98.0 | 99.5 |
| Redundancy | 3.8 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 10% PEG8000, 0.1M imidazole pH8.0, 0.2M Ca(CH3CO2)2, VAPOR DIFFUSION, SITTING DROP, temperature 100K |
