4DQD
The crystal structure of a transporter in complex with 3-phenylpyruvic acid
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 | 2012-02-08 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97931 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 125.038, 62.422, 60.623 |
| Unit cell angles | 90.00, 113.67, 90.00 |
Refinement procedure
| Resolution | 25.970 - 1.601 |
| R-factor | 0.1439 |
| Rwork | 0.143 |
| R-free | 0.16230 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3sg0 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.099 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((phenix.refine: 1.7.1_743)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 26.000 | 1.620 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.098 | 0.573 |
| Number of reflections | 56211 | |
| <I/σ(I)> | 23 | 2.5 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 3.7 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 289 | 0.2M Trimethylamine N-oxide, 0.1M Tris:HCl, 20% (w/v) PEG MME 2000, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
