8B6P
X-ray structure of the haloalkane dehalogenase HaloTag7 circular permutated at positions 154-156 (cpHaloTag7_154-156)
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 | 2019-02-02 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.99986 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 68.870, 94.660, 100.110 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.790 - 1.100 |
R-factor | 0.1376 |
Rwork | 0.137 |
R-free | 0.14900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5y2x |
RMSD bond length | 0.010 |
RMSD bond angle | 1.165 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.200 |
High resolution limit [Å] | 1.100 | 1.100 |
Rmerge | 0.048 | 0.174 |
Number of reflections | 251839 | 54597 |
<I/σ(I)> | 17.68 | 8.49 |
Completeness [%] | 95.4 | 90.8 |
Redundancy | 4.3 | 4.1 |
CC(1/2) | 0.998 | 0.965 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293 | 0.1 M Bicine pH 9.0, 1.6 M ammonium sulfate |