4R1I
Structure and Function of Neisseria gonorrhoeae MtrF Illuminates a Class of Antimetabolite Efflux Pumps
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 | 2013-06-26 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.98 |
Spacegroup name | P 65 |
Unit cell lengths | 120.766, 120.766, 233.897 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 47.740 - 3.959 |
R-factor | 0.3124 |
Rwork | 0.311 |
R-free | 0.33830 |
Structure solution method | SAD |
RMSD bond length | 0.005 |
RMSD bond angle | 1.000 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | MLPHARE |
Refinement software | PHENIX (1.8.1_1168) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 4.110 |
High resolution limit [Å] | 3.950 | 8.210 | 3.950 |
Rmerge | 0.071 | 0.050 | 0.921 |
Number of reflections | 16468 | ||
<I/σ(I)> | 7.4 | ||
Completeness [%] | 95.1 | 95.2 | 84.5 |
Redundancy | 2.5 | 2.3 | 2.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.5 | 298 | 30% PEG400, 0.05M Mg(Ac)2, 0.1M NaAc(5.0), and 3% glycerol, pH 7.5, vapor diffusion, temperature 298K |