3R3Z
Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - WT/Glycolate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 14-BM-C |
| Synchrotron site | APS |
| Beamline | 14-BM-C |
| Collection date | 2006-08-06 |
| Wavelength(s) | 0.90020 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 80.080, 122.120, 132.460 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 18.230 - 1.700 |
| R-factor | 0.1787 |
| Rwork | 0.177 |
| R-free | 0.21820 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.025 |
| RMSD bond angle | 1.963 |
| 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] | 89.800 | 7.000 | 1.610 |
| High resolution limit [Å] | 1.570 | 4.950 | 1.570 |
| Rmerge | 0.064 | 0.041 | 0.684 |
| Number of reflections | 177077 | 3898 | 10540 |
| <I/σ(I)> | 17.91 | 54.56 | 2.24 |
| Completeness [%] | 96.9 | 99.7 | 78.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 16-20% PEG3350, 0.2M NH4Cl, 0.1M sodium cacodylate. Microseeded using parent crystals grown with the supplementation of 4% sucrose, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
