5FLK
Structure of haloalkane dehalogenase variant DhaA101
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-02-01 |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | P 1 |
Unit cell lengths | 42.660, 44.400, 46.260 |
Unit cell angles | 115.26, 97.59, 109.52 |
Refinement procedure
Resolution | 39.610 - 0.990 |
R-factor | 0.11483 |
Rwork | 0.114 |
R-free | 0.12973 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4e46 |
RMSD bond length | 0.018 |
RMSD bond angle | 2.177 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | BALBES |
Refinement software | REFMAC (5.8.0131) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.610 | 1.020 |
High resolution limit [Å] | 0.990 | 0.990 |
Rmerge | 0.030 | 0.330 |
Number of reflections | 107099 | |
<I/σ(I)> | 18.2 | 2.1 |
Completeness [%] | 70.2 | 6.5 |
Redundancy | 3.2 | 1.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.5 | PROTEIN WAS CRYSTALLIZED FROM 0.1 M MES/IMIDAZOLE PH 6.5, 10% (W/V) PEG 20000, 20% (V/V) PEG MME 500, 0.2 M DL-GLUTAMATIC ACID MONOHYDRATE, 0.02M DL-ALANINE, 0.02M GLYCINE, 0.02M DL-LYSINE MONOHYDROCHLORIDE AND 0.02M DL-SERINE |