7DQC
Crystal structure of nucleotide-free 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-17A |
Synchrotron site | Photon Factory |
Beamline | BL-17A |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-06-21 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.98 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 122.080, 121.830, 129.110 |
Unit cell angles | 90.00, 90.22, 90.00 |
Refinement procedure
Resolution | 44.304 - 2.706 |
R-factor | 0.2358 |
Rwork | 0.234 |
R-free | 0.26610 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3vr2 |
RMSD bond length | 0.002 |
RMSD bond angle | 0.576 |
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] | 44.304 | 44.304 | 2.870 |
High resolution limit [Å] | 2.706 | 8.000 | 2.710 |
Rmerge | 0.077 | 0.020 | 0.666 |
Rmeas | 0.089 | 0.023 | 0.765 |
Number of reflections | 102939 | 4064 | 16482 |
<I/σ(I)> | 15.06 | 54.02 | 2.03 |
Completeness [%] | 99.8 | 99 | 99.3 |
Redundancy | 4.02 | 3.875 | 4.07 |
CC(1/2) | 0.998 | 0.999 | 0.692 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 8.5 | 296 | 25% PEG 3350, 100mM MES-Tris pH 8.5, 100mM NaCl |