8B6N
X-ray structure of the haloalkane dehalogenase HaloTag7 circular permutated at positions 141-156 (cpHaloTagDelta)
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 | 2018-02-10 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.97797 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 45.850, 79.320, 154.180 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.700 - 2.300 |
| R-factor | 0.2165 |
| Rwork | 0.215 |
| R-free | 0.25000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5y2x |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.659 |
| 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 | 2.400 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.065 | 0.651 |
| Number of reflections | 12786 | 1438 |
| <I/σ(I)> | 15.83 | 2.2 |
| Completeness [%] | 99.1 | 94.6 |
| Redundancy | 6.2 | 5.1 |
| CC(1/2) | 0.999 | 0.768 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 0.1 M CHES pH 9.5, 1.0 M trisodium citrate with 40% (v/v) polypropylene glycol P400 additive |
