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 |