3AOU
Structure of the Na+ unbound rotor ring modified with N,N f-Dicyclohexylcarbodiimide of the Na+-transporting V-ATPase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL41XU |
Synchrotron site | SPring-8 |
Beamline | BL41XU |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-10-25 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 120.410, 124.937, 208.221 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.790 - 3.140 |
R-factor | 0.2108 |
Rwork | 0.209 |
R-free | 0.24818 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 2db4 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.391 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.790 | 3.310 |
High resolution limit [Å] | 3.140 | 3.140 |
Rmerge | 0.671 | |
Number of reflections | 51929 | |
<I/σ(I)> | 1.9 | |
Completeness [%] | 93.8 | 94.8 |
Redundancy | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 100mM Tris-HCl pH7.5, 4% Glycerol, 240mM potassium citrate, 35% PEG 400, VAPOR DIFFUSION, SITTING DROP, temperature 293K |