8B5K
Structure of haloalkane dehalogenase DmmarA from Mycobacterium marinum at pH 6.5
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 | 91.816, 61.381, 106.689 |
| Unit cell angles | 90.00, 106.26, 90.00 |
Refinement procedure
| Resolution | 44.073 - 1.849 |
| R-factor | 0.1935 |
| Rwork | 0.191 |
| R-free | 0.24090 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1mj5 |
| 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] | 48.370 | 1.880 |
| High resolution limit [Å] | 1.849 | 1.850 |
| Rmerge | 0.151 | 1.662 |
| Rmeas | 0.163 | 1.825 |
| Rpim | 0.063 | 0.740 |
| Number of reflections | 97565 | 4639 |
| <I/σ(I)> | 10 | |
| Completeness [%] | 99.8 | 97.1 |
| Redundancy | 6.7 | 5.8 |
| CC(1/2) | 0.997 | 0.383 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293.15 | potassium phosphate, Bis-Tris propane, PEG 3350 |
