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 |