5T4T
Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - Asp110Asn - Apo No Halide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E DW |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-08-18 |
| Detector | RIGAKU SATURN A200 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 41.880, 78.850, 85.130 |
| Unit cell angles | 90.00, 103.71, 90.00 |
Refinement procedure
| Resolution | 82.704 - 1.511 |
| R-factor | 0.169 |
| Rwork | 0.167 |
| R-free | 0.20370 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3r3u |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.148 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 82.704 | 1.540 |
| High resolution limit [Å] | 1.510 | 1.510 |
| Rmerge | 0.039 | 0.282 |
| Number of reflections | 76737 | |
| <I/σ(I)> | 24.7 | 3.5 |
| Completeness [%] | 91.3 | 73.5 |
| Redundancy | 3.6 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 295 | 100 mM Tris-H2SO4 pH 8.5, 200 mM calcium acetate and 19-22% PEG3350 |
