3CHG
The compatible solute-binding protein OpuAC from Bacillus subtilis in complex with DMSA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE BW7A |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | BW7A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-09-15 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.97854 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 56.508, 150.606, 58.959 |
| Unit cell angles | 90.00, 104.54, 90.00 |
Refinement procedure
| Resolution | 19.560 - 2.800 |
| R-factor | 0.28902 |
| Rwork | 0.285 |
| R-free | 0.35947 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.127 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.850 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.164 | 0.290 |
| Number of reflections | 20667 | |
| <I/σ(I)> | 3 | |
| Completeness [%] | 93.0 | 96.5 |
| Redundancy | 2.4 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.3 | 274 | Tris, ammonium acetate, PEG 4000, pH 8.3, VAPOR DIFFUSION, HANGING DROP, temperature 274K |
