6ZVV
X-RAY STRUCTURE OF THE HALOALKANE DEHALOGENASE HALOTAG7-P174W 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 | 2019-10-05 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 1.000030 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 70.260, 53.030, 163.210 |
Unit cell angles | 90.00, 93.75, 90.00 |
Refinement procedure
Resolution | 42.290 - 1.400 |
R-factor | 0.2006 |
Rwork | 0.199 |
R-free | 0.22510 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6y7a |
RMSD bond length | 0.006 |
RMSD bond angle | 0.884 |
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 | 0.067 | 0.289 |
Number of reflections | 230075 | 40203 |
<I/σ(I)> | 10.6 | 3.18 |
Completeness [%] | 97.4 | 91.6 |
Redundancy | 3.16 | 2.46 |
CC(1/2) | 0.995 | 0.820 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.2 M calcium acetate, 20% (m/v) PEG 3350 |