7DQE
Crystal structure of the ADP-bound mutant A(S23C)3B(N64C)3 complex from enterococcus hirae V-ATPase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-1A |
Synchrotron site | Photon Factory |
Beamline | BL-1A |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-01-31 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1.1 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 120.030, 121.090, 231.470 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.631 - 2.694 |
R-factor | 0.2269 |
Rwork | 0.226 |
R-free | 0.25290 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5knc |
RMSD bond length | 0.002 |
RMSD bond angle | 0.601 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 47.631 | 47.631 | 2.860 |
High resolution limit [Å] | 2.690 | 7.990 | 2.690 |
Rmerge | 0.155 | 0.038 | 0.640 |
Rmeas | 0.183 | 0.045 | 0.755 |
Total number of observations | 312121 | ||
Number of reflections | 92593 | 3667 | 14644 |
<I/σ(I)> | 8.71 | 28.23 | 2.09 |
Completeness [%] | 98.7 | 94.8 | 98.1 |
Redundancy | 3.371 | 3.294 | 3.406 |
CC(1/2) | 0.985 | 0.998 | 0.670 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.5 | 296 | 23% PEG 3350, 100mM Tris pH 7.5, 100mM NaCl |