5BUT
Crystal structure of inactive conformation of KtrAB K+ transporter
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 2 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-03-20 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.976 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 307.060, 79.410, 205.650 |
Unit cell angles | 90.00, 98.10, 90.00 |
Refinement procedure
Resolution | 200.000 - 5.970 |
Rwork | 0.325 |
R-free | 0.33900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | KtrB from 4J7C and KtrA-deltaC from 2HMS |
RMSD bond length | 0.003 |
RMSD bond angle | 0.808 |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.20) |
Phasing software | PHASER |
Refinement software | CNS (DENR) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 200.000 | 58.345 | 6.300 |
High resolution limit [Å] | 5.970 | 18.890 | 5.970 |
Rmerge | 0.031 | 0.800 | |
Rmeas | 0.083 | ||
Rpim | 0.044 | 0.020 | 0.519 |
Total number of observations | 42979 | 1074 | 5953 |
Number of reflections | 12628 | ||
<I/σ(I)> | 10.2 | 29.6 | 1.6 |
Completeness [%] | 98.2 | 79.2 | 96.3 |
Redundancy | 3.4 | 3 | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 100 mM Tris-HCl, 16-22% PEG 400, 100-200 mM CaCl2 |