6SP8
Structure of hyperstable haloalkane dehalogenase variant DhaA115 prepared by the 'soak-and-freeze' method under 150 bar of krypton pressure
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-07-18 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.860999 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 67.978, 82.045, 144.176 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.203 - 1.550 |
| R-factor | 0.1611 |
| Rwork | 0.160 |
| R-free | 0.18120 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6sp5 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.849 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.6.2) |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.460 | 1.580 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.066 | 0.880 |
| Rmeas | 0.068 | 0.915 |
| Rpim | 0.019 | 0.246 |
| Total number of observations | 1563200 | |
| Number of reflections | 116195 | 5552 |
| <I/σ(I)> | 22.1 | |
| Completeness [%] | 99.0 | 96.6 |
| Redundancy | 13.5 | 13.5 |
| CC(1/2) | 1.000 | 0.937 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293.15 | PEG 3350, Bis-tris propane, potassium isothiocyanate |
