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 |