7O3O
Structure of haloalkane dehalogenase mutant DhaA80(T148L, G171Q, A172V, C176F) from Rhodococcus rhodochrous with ionic liquid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.2 |
Synchrotron site | BESSY |
Beamline | 14.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-01-29 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.918 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 52.315, 69.954, 83.816 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.380 - 1.250 |
R-factor | 0.1261 |
Rwork | 0.125 |
R-free | 0.15280 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4f60 |
RMSD bond length | 0.017 |
RMSD bond angle | 2.072 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.380 | 1.282 |
High resolution limit [Å] | 1.250 | 1.250 |
Rmeas | 0.054 | |
Number of reflections | 82895 | 7209 |
<I/σ(I)> | 23.46 | |
Completeness [%] | 99.2 | |
Redundancy | 3 | |
CC(1/2) | 0.999 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | 0.1M BisTris propane pH6.5, 0.2M Sodium Fluoride, 20% PEG3350, 50% w/v 2-Hydroxyethylammonium acetate |