4WCV
Haloalkane dehalogenase DhaA mutant from Rhodococcus rhodochrous (T148L+G171Q+A172V+C176G)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | OTHER |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2013-10-07 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.541790 |
| Spacegroup name | P 1 |
| Unit cell lengths | 42.585, 44.477, 46.508 |
| Unit cell angles | 115.47, 98.79, 109.12 |
Refinement procedure
| Resolution | 39.420 - 1.690 |
| R-factor | 0.12295 |
| Rwork | 0.120 |
| R-free | 0.17573 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3g9x |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.846 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.420 | 1.730 |
| High resolution limit [Å] | 1.690 | 1.690 |
| Rmerge | 0.057 | 0.170 |
| Number of reflections | 28416 | |
| <I/σ(I)> | 18.76 | 9.16 |
| Completeness [%] | 92.2 | 87.7 |
| Redundancy | 2.8 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.8 | 290 | sodium acetate trihydrate, ammonium acetate, PEG 4000 |
