3R3V
Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - Asp110Asn/Fluoroacetate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Detector technology | IMAGE PLATE |
| Collection date | 2009-09-23 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 41.890, 79.320, 84.960 |
| Unit cell angles | 90.00, 103.43, 90.00 |
Refinement procedure
| Resolution | 19.080 - 1.500 |
| R-factor | 0.1859 |
| Rwork | 0.184 |
| R-free | 0.22340 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.025 |
| RMSD bond angle | 2.082 |
| 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] | 20.000 | 6.710 | 1.540 |
| High resolution limit [Å] | 1.500 | 4.740 | 1.500 |
| Rmerge | 0.087 | 0.070 | 0.437 |
| Number of reflections | 82700 | 1789 | 5780 |
| <I/σ(I)> | 10.34 | 18.88 | 3.13 |
| Completeness [%] | 95.7 | 99.8 | 91.4 |
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 |
