4YXW
Bovine heart mitochondrial F1-ATPase inhibited by AMP-PNP and ADP in the presence of thiophosphate.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I02 |
Synchrotron site | Diamond |
Beamline | I02 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-08-06 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.979 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 105.353, 123.052, 261.276 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 76.500 - 3.100 |
R-factor | 0.2287 |
Rwork | 0.226 |
R-free | 0.27340 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2ck3 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.038 |
Data reduction software | MOSFLM (7.1.0) |
Data scaling software | Aimless (0.1.29) |
Phasing software | PHASER (2.52) |
Refinement software | REFMAC (5.8.0107) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 76.520 | 76.520 | 3.180 |
High resolution limit [Å] | 3.100 | 13.860 | 3.100 |
Rmerge | 0.171 | 0.096 | 0.649 |
Rpim | 0.123 | 0.078 | 0.459 |
Total number of observations | 154361 | 1913 | 11647 |
Number of reflections | 59186 | ||
<I/σ(I)> | 6.4 | 21.5 | 2.2 |
Completeness [%] | 95.4 | 92.3 | 96.1 |
Redundancy | 2.6 | 2.7 | 2.7 |
CC(1/2) | 0.884 | 0.596 | 0.547 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICRODIALYSIS | 8.2 | 295 | PEG 6000, sodium chloride, magnesium chloride, Tris-HCl, AMP-PNP, ADP, sodium monothiophosphate |