3R3Y
Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - His280Asn/Fluoroacetate
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 | 2010-04-23 |
| Wavelength(s) | 0.978700 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 41.760, 79.330, 85.010 |
| Unit cell angles | 90.00, 103.20, 90.00 |
Refinement procedure
| Resolution | 41.380 - 1.150 |
| R-factor | 0.1528 |
| Rwork | 0.151 |
| R-free | 0.18700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.026 |
| RMSD bond angle | 2.196 |
| 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] | 82.760 | 5.140 | 1.180 |
| High resolution limit [Å] | 1.150 | 3.640 | 1.150 |
| Rmerge | 0.049 | 0.026 | 0.170 |
| Number of reflections | 172884 | 3710 | 10019 |
| <I/σ(I)> | 15.24 | 37.35 | 3.35 |
| Completeness [%] | 90.6 | 93.4 | 71.2 |
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 |
