6TY7
Crystal structure of haloalkane dehalogenase variant DhaA115 domain-swapped dimer type-1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-10-20 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.97625 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 55.930, 75.650, 143.900 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 71.950 - 1.500 |
| R-factor | 0.1706 |
| Rwork | 0.169 |
| R-free | 0.19350 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4hzg |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 75.650 | 1.540 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.082 | |
| Number of reflections | 96088 | 5749 |
| <I/σ(I)> | 11.8 | |
| Completeness [%] | 97.8 | 81.2 |
| Redundancy | 5.9 | 3.4 |
| CC(1/2) | 0.998 | 0.546 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 292.15 | PEG 20000, PEG MME 550, sodium nitrate, disodium hydrogenphosphate, ammonium sulphate, MES, imidazole |
