6QKW
Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - Tyr219Phe - Fluoroacetate soaked 2hr
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E DW |
Temperature [K] | 293 |
Detector technology | CCD |
Collection date | 2016-01-19 |
Detector | RIGAKU SATURN A200 |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 41.750, 79.370, 85.010 |
Unit cell angles | 90.00, 103.01, 90.00 |
Refinement procedure
Resolution | 28.653 - 1.512 |
R-factor | 0.17 |
Rwork | 0.169 |
R-free | 0.19520 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.137 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 28.653 | 1.566 |
High resolution limit [Å] | 1.512 | 1.512 |
Number of reflections | 81991 | |
<I/σ(I)> | 25.51 | |
Completeness [%] | 97.2 | |
Redundancy | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 18-20% PEG3350, 200 mM CaCl2, and 100 mM Tris-HCl pH 8.5 |