4F8J
The structure of an aromatic compound transport protein from Rhodopseudomonas palustris in complex with p-coumarate
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 | 2012-02-02 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97929 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 48.872, 69.012, 91.307 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.550 - 1.600 |
| R-factor | 0.159 |
| Rwork | 0.157 |
| R-free | 0.19200 |
| Structure solution method | SAD |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.713 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MLPHARE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.630 |
| High resolution limit [Å] | 1.600 | 4.340 | 1.600 |
| Rmerge | 0.081 | 0.068 | 0.494 |
| Number of reflections | 41416 | ||
| <I/σ(I)> | 9 | ||
| Completeness [%] | 99.8 | 97.2 | 100 |
| Redundancy | 10.3 | 9.2 | 10.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 289 | 0.1M HEPES: NaOH pH 7.5, 2M ammonium sulfate, p-coumarate, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
