5K3D
Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - WT/Apo - No Halide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 93 |
| Detector technology | CCD |
| Collection date | 2013-06-26 |
| Detector | BRUKER SMART 6000 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 41.772, 79.677, 85.291 |
| Unit cell angles | 90.00, 102.45, 90.00 |
Refinement procedure
| Resolution | 33.860 - 1.450 |
| R-factor | 0.185 |
| Rwork | 0.183 |
| R-free | 0.21500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3r3u |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.375 |
| Data reduction software | PROTEUM PLUS |
| Data scaling software | PROTEUM PLUS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 33.900 |
| High resolution limit [Å] | 1.450 |
| Rmerge | 0.055 |
| Number of reflections | 96439 |
| <I/σ(I)> | 49.7 |
| Completeness [%] | 99.9 |
| Redundancy | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | PEG 3350 19-22%, 200mM Calcium acetate, 100mM Tris SO4 pH 8.5 |
