3R3W
Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - Asp110Asn/Chloroacetate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Detector technology | IMAGE PLATE |
| Collection date | 2009-11-04 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.030, 79.770, 85.180 |
| Unit cell angles | 90.00, 103.22, 90.00 |
Refinement procedure
| Resolution | 18.690 - 1.600 |
| R-factor | 0.1812 |
| Rwork | 0.179 |
| R-free | 0.22320 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.024 |
| RMSD bond angle | 1.981 |
| 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] | 83.050 | 7.160 | 1.640 |
| High resolution limit [Å] | 1.600 | 5.060 | 1.600 |
| Rmerge | 0.044 | 0.020 | 0.414 |
| Number of reflections | 71601 | 1506 | 5213 |
| <I/σ(I)> | 20.89 | 57.21 | 3.07 |
| Completeness [%] | 99.2 | 99.6 | 97.5 |
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 |
