4MLB
Reverse polarity of binding pocket suggests different function of a MOP superfamily transporter from Pyrococcus furiosus Vc1 (DSM3638)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM16 |
| Synchrotron site | ESRF |
| Beamline | BM16 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-07-26 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.170 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 219.560, 94.548, 138.822 |
| Unit cell angles | 90.00, 126.47, 90.00 |
Refinement procedure
| Resolution | 45.240 - 2.349 |
| R-factor | 0.2041 |
| Rwork | 0.203 |
| R-free | 0.23100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3mkt |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.794 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASES |
| Refinement software | PHENIX ((phenix.refine: 1.7.3_928)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.270 | 2.480 |
| High resolution limit [Å] | 2.349 | 2.349 |
| Rmerge | 0.073 | 0.499 |
| Number of reflections | 95103 | |
| <I/σ(I)> | 14 | 3.1 |
| Completeness [%] | 99.8 | 99.5 |
| Redundancy | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 291 | 10 mg/ml protein, 0.1 M ADA/NaOH, pH 6.5, 10 mM ytterbium chloride, 0.15% w/v OG-Se, 24% w/v PEG2000 MME, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
