6F9O
Crystal structure of cold-adapted haloalkane dehalogenase DpcA from Psychrobacter cryohalolentis K5
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.2 |
| Synchrotron site | BESSY |
| Beamline | 14.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-02-01 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 0.978260 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 41.332, 79.451, 43.489 |
| Unit cell angles | 90.00, 94.98, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.050 |
| R-factor | 0.11139 |
| Rwork | 0.110 |
| R-free | 0.13151 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1b6g |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.634 |
| Data reduction software | HKL-3000 (VERSION November 1, 2011) |
| Data scaling software | HKL-3000 (VERSION November 1, 2011) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.090 |
| High resolution limit [Å] | 1.050 | 1.050 |
| Rmerge | 0.050 | 0.307 |
| Number of reflections | 120315 | 7363 |
| <I/σ(I)> | 39.7 | 3.4 |
| Completeness [%] | 92.2 | 56.2 |
| Redundancy | 5.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.88 | 293 | 0.2 M ammonium acetate, 30%(w/v) PEG 4000 and 0.1 M sodium acetate trihydrate pH 4.6 and with the addition of 0.6 ul of 0.1M L-proline (Additive Screen kit, Hampton Research) to the crystallization drop |
