6Y9E
Crystal structure of putative ancestral haloalkane dehalogenase AncHLD2 (node 2)
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 2 |
| Unit cell lengths | 109.580, 166.620, 100.290 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 67.617 - 1.700 |
| R-factor | 0.1833 |
| Rwork | 0.181 |
| R-free | 0.21830 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4k2a |
| Data reduction software | XDS |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.14-3260) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 67.620 | 1.740 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 1.514 | |
| Number of reflections | 201162 | 6316 |
| <I/σ(I)> | 9.9 | |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 6.5 | |
| CC(1/2) | 0.997 | 0.559 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293.15 | PEG 8000, magnesium chloride, Tris base |
