8OE2
Structure of hyperstable haloalkane dehalogenase variant DhaA223
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-10-07 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.999 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 67.350, 143.144, 106.676 |
| Unit cell angles | 90.00, 108.38, 90.00 |
Refinement procedure
| Resolution | 47.720 - 1.510 |
| R-factor | 0.1696 |
| Rwork | 0.168 |
| R-free | 0.19450 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.427 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1-4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.720 | 1.530 |
| High resolution limit [Å] | 1.510 | 1.510 |
| Number of reflections | 296214 | 14110 |
| <I/σ(I)> | 7.2 | 1.1 |
| Completeness [%] | 98.2 | |
| Redundancy | 3.5 | |
| CC(1/2) | 0.996 | 0.510 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293.15 | Ammonium sulphate, Bis-tris, PEG 3350 |
