5LKA
Crystal structure of haloalkane dehalogenase LinB 140A+143L+177W+211L mutant (LinB86) from Sphingobium japonicum UT26 at 1.3 A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-01-31 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9184 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 46.867, 68.362, 80.648 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.522 - 1.298 |
R-factor | 0.1396 |
Rwork | 0.139 |
R-free | 0.17450 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4wdr |
RMSD bond length | 0.006 |
RMSD bond angle | 0.921 |
Data reduction software | XDS (November 3, 2014) |
Data scaling software | XDS (November 3, 2014) |
Phasing software | PHASER (2.6.0) |
Refinement software | PHENIX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.870 | 1.380 |
High resolution limit [Å] | 1.298 | 1.298 |
Rmerge | 0.083 | 0.506 |
Number of reflections | 64480 | |
<I/σ(I)> | 16.45 | 3.5 |
Completeness [%] | 99.6 | 98.7 |
Redundancy | 6.35 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.2 M sodium thiocyanate, 20 % (w/v) PEG 3350. |