6ZVW
X-RAY STRUCTURE OF THE HALOALKANE DEHALOGENASE HALOTAG7-Q165H LABELED WITH A CHLOROALKANE-TETRAMETHYLRHODAMINE FLUOROPHORE SUBSTRATE
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-06-29 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 1.000060 |
Spacegroup name | P 1 |
Unit cell lengths | 44.180, 47.560, 78.250 |
Unit cell angles | 97.37, 89.97, 114.26 |
Refinement procedure
Resolution | 40.210 - 1.600 |
R-factor | 0.2242 |
Rwork | 0.222 |
R-free | 0.26560 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6y7a |
RMSD bond length | 0.008 |
RMSD bond angle | 0.941 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.15.2_3472) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.700 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.082 | 0.444 |
Number of reflections | 67810 | 11604 |
<I/σ(I)> | 5.04 | 1.65 |
Completeness [%] | 89.3 | 91.5 |
Redundancy | 1.79 | 1.78 |
CC(1/2) | 0.988 | 0.755 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1 M MES pH 6.0, 1.0 M lithium chloride, 20% (m/v) PEG 6000 |