1AR1
Structure at 2.7 Angstrom Resolution of the Paracoccus Denitrificans two-subunit Cytochrome C Oxidase Complexed with an Antibody Fv Fragment
Experimental procedure
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM14 |
Synchrotron site | ESRF |
Beamline | BM14 |
Temperature [K] | 277 |
Detector technology | CCD |
Collection date | 1997-01-31 |
Detector | PRINCETON 2K |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 93.500, 151.000, 156.700 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.700 |
R-factor | 0.207 |
Rwork | 0.207 |
R-free | 0.26100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | FOUR PROTEIN SUBUNITS CONTAINING CYTOCHROME C OXIDASE FROM PARACOCCUS DENITRIFICANS (NATURE 376: 660-669) |
RMSD bond length | 0.012 |
RMSD bond angle | 23.400 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | X-PLOR (3.851) |
Refinement software | X-PLOR (3.851) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.800 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.068 | 0.332 |
Total number of observations | 198657 * | |
Number of reflections | 57945 * | |
<I/σ(I)> | 13.4 | 4 |
Completeness [%] | 93.8 | 79.7 |
Redundancy | 3.4 | 2.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 5.5 | 293 * | pH 5.5 |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | sodium acetate | 100 (mM) | |
2 | 1 | reservoir | PEG2000 | 7-8.5 (%) |