2NO5
Crystal Structure analysis of a Dehalogenase with intermediate complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2004-07-16 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 103.743, 103.743, 134.794 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.240 - 2.600 |
| R-factor | 0.199 |
| Rwork | 0.196 |
| R-free | 0.25200 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 2no4 |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.845 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | REFMAC |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.240 | 2.670 |
| High resolution limit [Å] | 2.600 | 2.580 |
| Rmerge | 0.133 | |
| Number of reflections | 26322 | |
| <I/σ(I)> | 10.13 | 1.41 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 3.49 | 3.11 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.8 | 293 | 20% PEG 4000, 0.65M Ammonium Sulphate, pH 4.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
