6ZVY
X-RAY STRUCTURE OF THE HALOALKANE DEHALOGENASE HALOTAG7-Q165H-P174R 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 | 2019-12-12 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 0.999878 |
Spacegroup name | P 1 |
Unit cell lengths | 44.150, 47.340, 78.470 |
Unit cell angles | 97.67, 90.19, 113.54 |
Refinement procedure
Resolution | 40.400 - 1.400 |
R-factor | 0.163 |
Rwork | 0.162 |
R-free | 0.18000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6y7a |
RMSD bond length | 0.006 |
RMSD bond angle | 0.882 |
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 | 1.500 |
High resolution limit [Å] | 1.400 | 1.400 |
Rmerge | 0.026 | 0.125 |
Number of reflections | 99388 | 14156 |
<I/σ(I)> | 17.82 | 5.57 |
Completeness [%] | 87.5 | 66.7 |
Redundancy | 1.91 | 1.81 |
CC(1/2) | 0.999 | 0.971 |
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 |