3VLJ
Crystal Structure Analysis of the Cyanide Arg409Leu Variant Complexes with o-Dianisidine in KatG from HALOARCULA MARISMORTUI
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NW12A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-06-16 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 315.209, 80.762, 75.433 |
| Unit cell angles | 90.00, 99.50, 90.00 |
Refinement procedure
| Resolution | 36.740 - 1.700 |
| Rwork | 0.216 |
| R-free | 0.23400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.400 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.780 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.133 | 0.643 |
| Number of reflections | 203754 | |
| <I/σ(I)> | 39.2 | 3.2 |
| Completeness [%] | 100.0 | 99.9 |
| Redundancy | 7.5 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 288 | 1mM o-Dianisidine, 2.36-2.58M Ammonium sulfate, 0.5M potassium chloride, 20mM sodium phosphate, VAPOR DIFFUSION, HANGING DROP, temperature 288K |
