8B6O
X-ray structure of the haloalkane dehalogenase HaloTag7 circular permutated at positions 141-156 (cpHaloTagDelta) fused to M13
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 | 2018-08-25 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.99995 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 44.600, 81.320, 153.020 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.660 - 2.000 |
R-factor | 0.2228 |
Rwork | 0.221 |
R-free | 0.24860 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | D_1292125777 |
RMSD bond length | 0.003 |
RMSD bond angle | 0.616 |
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 | 2.100 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.038 | 0.472 |
Number of reflections | 19257 | 2577 |
<I/σ(I)> | 25.1 | 3.81 |
Completeness [%] | 99.9 | 100 |
Redundancy | 6.6 | 6.7 |
CC(1/2) | 0.999 | 0.897 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293 | 0.1 M sodium acetate pH 4.5, 0.65 M sodium dihydrogen phosphate, 1.00 M dipotassium hydrogen phosphate |