3B5D
EmrE multidrug transporter in complex with TPP, C2 crystal form
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL11-1 |
| Synchrotron site | SSRL |
| Beamline | BL11-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-11-16 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9790, 0.9793, 0.9184 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 115.100, 43.700, 76.400 |
| Unit cell angles | 90.00, 108.10, 90.00 |
Refinement procedure
| Resolution | 20.000 - 3.800 |
| Rwork | 0.325 |
| R-free | 0.36400 |
| Structure solution method | MAD |
| RMSD bond length | 0.012 |
| RMSD bond angle | 2.000 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.110 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Number of reflections | 3077 | |
| <I/σ(I)> | 22.6 | 0.7 |
| Completeness [%] | 92.0 | 34.3 |
| Redundancy | 3.1 | 1.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.8 | 298 | 100-200 mM calcium chloride, 100 mM Tris, 11-14% (w/v) PEG 2,000 MME , and 0.3-0.6% (w/v) NG, pH 6.8, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
