1H8E
(ADP.AlF4)2(ADP.SO4) bovine F1-ATPase (all three catalytic sites occupied)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SRS BEAMLINE PX9.6 |
Synchrotron site | SRS |
Beamline | PX9.6 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 1998-08-15 |
Detector | ADSC CCD |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 267.700, 106.200, 138.300 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 13.500 - 2.000 |
R-factor | 0.201 * |
Rwork | 0.201 |
R-free | 0.26400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDB CODE 1BMF NATIVE BOVINE MITOCHONDRIAL F1- ATPASE |
RMSD bond length | 0.012 |
RMSD bond angle | 0.025 |
Data reduction software | MOSFLM |
Data scaling software | CCP4 |
Phasing software | AMoRE |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 13.500 | 2.140 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.066 | 0.481 * |
Number of reflections | 209953 | |
<I/σ(I)> | 9.1 | 1.7 |
Completeness [%] | 79.6 | 40.6 |
Redundancy | 2.1 | 1.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Microdialysis * | 7.2 * | 22-24 * | Lutter, R., (1993) J.Mol.Biol., 229, 787. * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | 1 | deuterium oxide | 99.9 (%) | |
11 | 1 | 1 | AMP-PNP | 0.500 (mM) | * |
12 | 1 | 1 | ADP | 0.010 (mM) | * |
13 | 1 | 2 | PEG6000 | 9 (%(w/v)) | |
14 | 1 | 2 | 2-mercaptoethanol | 5 (mM) | |
15 | 1 | 2 | * solutions | half of concentration * solutions | |
2 | 1 | 1 | Tris-HCl | 100 (mM) | * |
3 | 1 | 1 | PEG6000 | 14 (%(w/v)) | |
4 | 1 | 1 | 400 (mM) | * | |
5 | 1 | 1 | EDTA | 2 (mM) | * |
6 | 1 | 1 | sodium azide | 0.04 (%(w/v)) | * |
7 | 1 | 1 | PMSF | 0.02 (%(w/v)) | * |
8 | 1 | 1 | dithiothreitol | 10 (mM) | * |
9 | 1 | 2 | magnesium sulphate | 20 (mM) |