6Y9F
Crystal structure of putative ancestral haloalkane dehalogenase AncHLD3 (node 3)
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 65 2 2 |
Unit cell lengths | 71.420, 71.420, 225.760 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 61.852 - 1.260 |
R-factor | 0.1477 |
Rwork | 0.147 |
R-free | 0.16870 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4k2a |
Data reduction software | XDS |
Data scaling software | xia2 |
Phasing software | PHASER |
Refinement software | PHENIX (1.18.1-3865) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 61.852 | 1.290 |
High resolution limit [Å] | 1.260 | 1.260 |
Number of reflections | 92642 | 6558 |
<I/σ(I)> | 25.7 | |
Completeness [%] | 99.8 | |
Redundancy | 17 | |
CC(1/2) | 1.000 | 0.564 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 9.5 | 293.15 | Sodium citrate tribasic, CHES |