3P20
Crystal structure of vanadate bound subunit A of the A1AO ATP synthase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL12B2 |
Synchrotron site | SPring-8 |
Beamline | BL12B2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-02-08 |
Detector | ADSC QUANTUM 4r |
Wavelength(s) | 1.00 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 127.550, 127.550, 104.064 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.250 - 2.850 |
R-factor | 0.2116 |
Rwork | 0.210 |
R-free | 0.24570 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1vdz |
RMSD bond length | 0.015 |
RMSD bond angle | 1.789 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER (2.1.4) |
Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.000 | 30.000 | 2.960 |
High resolution limit [Å] | 2.850 | 6.150 | 2.860 |
Rmerge | 0.087 | 0.043 | 0.458 |
Number of reflections | 20534 | ||
<I/σ(I)> | 7.3 | ||
Completeness [%] | 100.0 | 100 | 100 |
Redundancy | 8.8 | 8.5 | 8.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 291 | 50% (v/v) MPD, 2mM sodium orthovanadate, 2mM Magnesium chloride and 0.1M acetate (pH 4.5), vapor diffusion, hanging drop, temperature 291K |