4DNT
Crystal structure of the CusBA heavy-metal efflux complex from Escherichia coli, 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 | 159.636, 159.636, 681.098 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 107.327 - 3.100 |
| R-factor | 0.2203 |
| Rwork | 0.219 |
| R-free | 0.24450 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.675 |
| Data reduction software | HKL-2000 |
| 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] | 113.516 | 113.516 | 3.180 |
| High resolution limit [Å] | 3.100 | 13.860 | 3.100 |
| Rmerge | 0.042 | 0.872 | |
| Total number of observations | 3640 | 24724 | |
| Number of reflections | 61292 | ||
| <I/σ(I)> | 10.3 | 8.4 | 0.8 |
| Completeness [%] | 100.0 | 99.7 | 100 |
| Redundancy | 5.3 | 4.6 | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7 | 298 | PEG3350, NH4SO4, JM600, pH 7, vapor diffusion, temperature 298K |
