3S5C
Crystal Structure of a Hexachlorocyclohexane dehydrochlorinase (LinA) Type2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 295 |
| Detector technology | IMAGE PLATE |
| Collection date | 2010-06-24 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 63 2 2 |
| Unit cell lengths | 162.529, 162.529, 186.282 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.720 - 3.500 |
| R-factor | 0.1834 |
| Rwork | 0.179 |
| R-free | 0.27080 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3a76 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.376 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.720 | 3.690 |
| High resolution limit [Å] | 3.500 | 3.500 |
| Rmerge | 0.239 | 0.663 |
| Number of reflections | 18690 | |
| <I/σ(I)> | 2.7 | |
| Completeness [%] | 99.1 | 98.5 |
| Redundancy | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 295 | 2% PEG 8000,0.1 M trisodium citrate, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
