3R40
Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - Asp110Asn/apo
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 | 2010-04-03 |
| Wavelength(s) | 0.978700 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 41.930, 79.270, 85.080 |
| Unit cell angles | 90.00, 103.22, 90.00 |
Refinement procedure
| Resolution | 41.410 - 1.050 |
| R-factor | 0.1453 |
| Rwork | 0.144 |
| R-free | 0.16800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.026 |
| RMSD bond angle | 2.186 |
| 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] | 82.820 | 4.700 | 1.080 |
| High resolution limit [Å] | 1.050 | 3.320 | 1.050 |
| Rmerge | 0.048 | 0.031 | 0.266 |
| Number of reflections | 243420 | 4788 | 16990 |
| <I/σ(I)> | 15.92 | 29.41 | 3.67 |
| Completeness [%] | 96.8 | 91.5 | 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 |
