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 |
