4DNR
Crystal structure of the CusBA heavy-metal efflux complex from Escherichia coli, E716F mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-01-01 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9798 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 159.594, 159.594, 689.652 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 97.665 - 3.680 |
| R-factor | 0.2457 |
| Rwork | 0.244 |
| R-free | 0.27190 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.635 |
| Data reduction software | DENZO |
| Data scaling software | SCALA (3.3.9) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.6.4_486) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 114.942 | 114.942 | 3.780 |
| High resolution limit [Å] | 3.680 | 16.460 | 3.680 |
| Rmerge | 0.068 | 0.625 | |
| Total number of observations | 1609 | 10824 | |
| Number of reflections | 37324 | ||
| <I/σ(I)> | 6.4 | 2.5 | 1.1 |
| Completeness [%] | 99.9 | 98.9 | 100 |
| Redundancy | 3.9 | 3.3 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7 | 298 | PEG3350, NH4SO4, JM600, pH 7, vapor diffusion, temperature 298K |
