7A0Y
Structure of dimeric sodium proton antiporter NhaA K300R variant, at pH 8.2, crystallized with chimeric Fab antibodies
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE MASSIF-3 |
Synchrotron site | ESRF |
Beamline | MASSIF-3 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-10-30 |
Detector | DECTRIS PILATUS3 2M |
Wavelength(s) | 0.968 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 112.036, 91.681, 138.287 |
Unit cell angles | 90.00, 110.08, 90.00 |
Refinement procedure
Resolution | 24.740 - 2.450 |
R-factor | 0.2046 |
Rwork | 0.203 |
R-free | 0.24140 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7a0w |
RMSD bond length | 0.002 |
RMSD bond angle | 0.434 |
Data reduction software | XDS |
Data scaling software | STARANISO |
Phasing software | PHASER |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 24.740 | 2.770 |
High resolution limit [Å] | 2.450 | 2.450 |
Rmerge | 0.186 | 1.854 |
Number of reflections | 57756 | 2890 |
<I/σ(I)> | 12.1 | 1.7 |
Completeness [%] | 94.5 | 70.2 |
Redundancy | 13.7 | 14.2 |
CC(1/2) | 0.995 | 0.496 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.2 | 292 | 100 mM Tris-HCl pH 8.2, 50 mM BaCl2, 50 mM CaCl2, 30 % PEG400, 0.1 mM 2-aminoperimidine |