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 |
