4EVR
Crystal structure of ABC transporter from R. palustris - solute binding protein (RPA0668) in complex with benzoate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-02-03 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97929 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 42.306, 57.778, 133.889 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 22.620 - 1.840 |
R-factor | 0.1518 |
Rwork | 0.150 |
R-free | 0.18500 |
Structure solution method | SAD |
RMSD bond length | 0.015 |
RMSD bond angle | 1.230 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | MLPHARE |
Refinement software | BUSTER (2.10.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 1.880 |
High resolution limit [Å] | 1.840 | 1.850 |
Rmerge | 0.098 | 0.774 |
Number of reflections | 28325 | |
<I/σ(I)> | 17.3 | 2.05 |
Completeness [%] | 97.6 | 99.7 |
Redundancy | 5.3 | 5.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 297 | 0.1 M sodium acetate, 25% PEG4000, 8% 2-propanol, 5 mM sodium benzoate, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 297K |