5MXP
Haloalkane dehalogenase DmxA from Marinobacter sp. ELB17 possessing a unique catalytic residue
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-07-24 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9724 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 43.371, 78.343, 150.514 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 75.260 - 1.450 |
| R-factor | 0.1752 |
| Rwork | 0.173 |
| R-free | 0.21380 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4e46 |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.927 |
| Data reduction software | XDS (2013-03-30) |
| Data scaling software | XDS (2013-03-30) |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 1.490 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Rmerge | 0.112 | 0.621 |
| Number of reflections | 86980 | 5978 |
| <I/σ(I)> | 8.02 | |
| Completeness [%] | 99.7 | 99.9 |
| Redundancy | 5.28 | 5.52 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 293 | 0.2M ammonium acetate, 30%(w/v) PEG 4000 and 0.1M sodium citrate tribasic dihydrate, additionally added sarcosine |
