5SWN
Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - Asp110Asn/Fluoroacetate - Cocrystallized
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-D |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2015-12-09 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 41.880, 78.870, 84.900 |
Unit cell angles | 90.00, 103.18, 90.00 |
Refinement procedure
Resolution | 40.777 - 1.541 |
R-factor | 0.1703 |
Rwork | 0.169 |
R-free | 0.19350 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3r3u |
RMSD bond length | 0.007 |
RMSD bond angle | 0.961 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 40.800 |
High resolution limit [Å] | 1.540 |
Number of reflections | 78560 |
<I/σ(I)> | 30.7 |
Completeness [%] | 99.1 |
Redundancy | 4.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 295 | 100 mM Tris-HCl pH 8.5 and 200 mM CaCl2 and 19-22% PEG3350 |