8B5O
Structure of haloalkane dehalogenase DmmarA from Mycobacterium marinum at pH 5.5
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-10-13 |
| Detector | DECTRIS PILATUS 2M-F |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 90.699, 60.766, 104.777 |
| Unit cell angles | 90.00, 105.49, 90.00 |
Refinement procedure
| Resolution | 43.702 - 1.597 |
| R-factor | 0.1997 |
| Rwork | 0.198 |
| R-free | 0.23800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 8b5k |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.14-3260) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.710 | 1.620 |
| High resolution limit [Å] | 1.597 | 1.600 |
| Rmerge | 0.107 | 1.291 |
| Rmeas | 0.116 | 1.414 |
| Rpim | 0.044 | 0.565 |
| Number of reflections | 144169 | 6892 |
| <I/σ(I)> | 11.2 | |
| Completeness [%] | 98.9 | 96 |
| Redundancy | 6.7 | 5.9 |
| CC(1/2) | 0.998 | 0.490 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293.15 | ammonium acetate, Bis-Tris, PEG 3350 |
