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 |
