4K0J
X-ray crystal structure of a heavy metal efflux pump, crystal form I
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 200 |
| Detector technology | CCD |
| Collection date | 2011-08-23 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.0332 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 223.627, 129.056, 392.374 |
| Unit cell angles | 90.00, 94.62, 90.00 |
Refinement procedure
| Resolution | 19.978 - 3.000 |
| R-factor | 0.2789 |
| Rwork | 0.279 |
| R-free | 0.30550 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ne5 Chain A |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.861 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 20.000 | 20.000 | 3.110 |
| High resolution limit [Å] | 3.000 | 6.400 | 3.000 |
| Number of reflections | 214382 | ||
| <I/σ(I)> | 10 | 21.8 | 1.8 |
| Completeness [%] | 97.7 | 95.5 | 99.6 |
| Redundancy | 2.7 | 2.9 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.2 | 298 | 26% PEG 400, 100 mM ADA, 100 mM LiSO4, pH 5.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
