6ZVU
X-RAY STRUCTURE OF THE HALOALKANE DEHALOGENASE HALOTAG7-P174L 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 21 21 2 |
Unit cell lengths | 78.390, 91.510, 44.180 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.760 - 1.400 |
R-factor | 0.2033 |
Rwork | 0.202 |
R-free | 0.22470 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6y7a |
RMSD bond length | 0.005 |
RMSD bond angle | 0.838 |
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 | 0.075 | 0.181 |
Number of reflections | 63321 | 11640 |
<I/σ(I)> | 15.8 | 7.55 |
Completeness [%] | 99.9 | 99.7 |
Redundancy | 6.48 | 6.22 |
CC(1/2) | 0.997 | 0.979 |
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 |