6XT8
Crystal structure of haloalkane dehalogenase variant DhaA115 domain-swapped dimer type-2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-07-18 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.861 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 44.900, 164.613, 92.736 |
Unit cell angles | 90.00, 100.92, 90.00 |
Refinement procedure
Resolution | 45.528 - 1.700 |
R-factor | 0.1862 |
Rwork | 0.185 |
R-free | 0.21470 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4hzg |
Data reduction software | XDS |
Data scaling software | Aimless (0.6.2) |
Phasing software | PHASER |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 47.000 | 47.000 | 1.730 |
High resolution limit [Å] | 1.700 | 9.310 | 1.700 |
Rmerge | 0.047 | 0.021 | 0.601 |
Rmeas | 0.053 | 0.023 | 0.679 |
Rpim | 0.024 | 0.010 | 0.310 |
Total number of observations | 652840 | 4298 | 31379 |
Number of reflections | 141424 | 905 | 6905 |
<I/σ(I)> | 16 | 48.6 | 2.5 |
Completeness [%] | 97.8 | 99.4 | 95.2 |
Redundancy | 4.6 | 4.7 | 4.5 |
CC(1/2) | 0.999 | 1.000 | 0.807 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293.15 | PEG 3350, ammonium nitrate, bis-tris |