3SK0
structure of Rhodococcus rhodochrous haloalkane dehalogenase DhaA mutant DhaA12
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-11-24 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.918 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 51.583, 68.689, 84.370 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.780 |
| R-factor | 0.176 |
| Rwork | 0.176 |
| R-free | 0.20700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3fbw |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.024 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 10.000 | 1.880 |
| High resolution limit [Å] | 1.780 | 1.780 |
| Rmerge | 0.084 | 0.370 |
| Number of reflections | 34658 | |
| <I/σ(I)> | 14.4 | 4.2 |
| Completeness [%] | 100.0 | 99.9 |
| Redundancy | 4.1 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.1 | 277 | 100 mM MES sodium salt, 20% peg 4000, pH 6.1, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
