4K0E
X-ray crystal structure of a heavy metal efflux pump, crystal form II
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Temperature [K] | 200 |
| Detector technology | CCD |
| Collection date | 2011-11-09 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.1159 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 215.342, 127.068, 163.331 |
| Unit cell angles | 90.00, 93.12, 90.00 |
Refinement procedure
| Resolution | 19.942 - 3.713 |
| R-factor | 0.2317 |
| Rwork | 0.229 |
| R-free | 0.28280 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | ZneA crystal form I |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.817 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.8.1_1168)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 20.000 | 20.000 | 3.830 |
| High resolution limit [Å] | 3.700 | 7.830 | 3.700 |
| Number of reflections | 43547 | ||
| <I/σ(I)> | 7.9 | 29.7 | 1.5 |
| Completeness [%] | 97.4 | 95 | 98.6 |
| Redundancy | 2.5 | 2.5 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.5 | 298 | 30% PEG 400, 100 mM Na HEPES, 100 mM MgCl2, pH 7.5, VAPOR DIFFUSION, temperature 298K |
