6SP5
Structure of hyperstable haloalkane dehalogenase variant DhaA115
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) | 0.860999 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 70.188, 68.121, 83.916 |
Unit cell angles | 90.00, 104.82, 90.00 |
Refinement procedure
Resolution | 48.074 - 1.600 |
R-factor | 0.1589 |
Rwork | 0.158 |
R-free | 0.17830 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4hzg |
RMSD bond length | 0.006 |
RMSD bond angle | 0.844 |
Data reduction software | XDS |
Data scaling software | Aimless (0.6.2) |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.074 | 48.070 | 1.630 |
High resolution limit [Å] | 1.600 | 8.700 | 1.600 |
Rmerge | 0.074 | 0.037 | 0.632 |
Rmeas | 0.080 | 0.040 | 0.687 |
Rpim | 0.030 | 0.015 | 0.266 |
Number of reflections | 99102 | 656 | 4816 |
<I/σ(I)> | 13.7 | ||
Completeness [%] | 98.3 | 99.5 | 96.9 |
Redundancy | 6.8 | 6.9 | 6.5 |
CC(1/2) | 0.999 | 0.999 | 0.867 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | PEG3350, potassium isothiocyanate, Bis-tris propane |