6XY9
Crystal structure of haloalkane dehalogenase DbeA-M1 loop variant from Bradyrhizobium elkanii
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | X11 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2008-01-16 |
Detector | MAR555 FLAT PANEL |
Wavelength(s) | 0.918 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 133.750, 75.130, 77.600 |
Unit cell angles | 90.00, 91.90, 90.00 |
Refinement procedure
Resolution | 19.600 - 2.200 |
R-factor | 0.1779 |
Rwork | 0.175 |
R-free | 0.23540 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4k2a |
RMSD bond length | 0.019 |
RMSD bond angle | 1.878 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0123) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.600 | 2.270 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.138 | 0.515 |
Number of reflections | 38810 | 6037 |
<I/σ(I)> | 11.76 | 3.35 |
Completeness [%] | 98.6 | |
Redundancy | 3.74 | |
CC(1/2) | 0.860 | 0.628 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 25% PEG 4000, 130 mM calcium acetate |