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 |