3R3X
Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - Asp110Asn/Bromoacetate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Detector technology | IMAGE PLATE |
| Collection date | 2009-11-05 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.260, 80.170, 85.540 |
| Unit cell angles | 90.00, 103.19, 90.00 |
Refinement procedure
| Resolution | 19.760 - 1.800 |
| R-factor | 0.1921 |
| Rwork | 0.190 |
| R-free | 0.23360 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.022 |
| RMSD bond angle | 1.790 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 83.330 | 8.050 | 1.850 |
| High resolution limit [Å] | 1.800 | 5.690 | 1.800 |
| Rmerge | 0.055 | 0.029 | 0.411 |
| Number of reflections | 49450 | 1059 | 3557 |
| <I/σ(I)> | 18.95 | 38.85 | 4 |
| Completeness [%] | 95.9 | 98.4 | 92.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 15-24% PEG3350, 0.1-0.2M CaCl2 and 0.1M Tris-HCl, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
