3AG2
Bovine Heart Cytochrome c Oxidase in the Carbon Monoxide-bound Fully Reduced State at 100 K
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44XU |
| Synchrotron site | SPring-8 |
| Beamline | BL44XU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2007-09-22 |
| Detector | Bruker DIP-6040 |
| Wavelength(s) | 0.9 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 182.834, 206.933, 178.090 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.440 - 1.802 |
| R-factor | 0.1773 |
| Rwork | 0.176 |
| R-free | 0.20840 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2eij |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.675 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MLPHARE |
| Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 80.300 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Number of reflections | 614641 | 60763 |
| <I/σ(I)> | 15.7 | 0.58 |
| Completeness [%] | 99.9 | 99.4 |
| Redundancy | 11.5 | 9.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 6.8 | 277 | 0.2 % decal maltose in 40 mM sodium phosphate buffer, 9.0 % (w/v) protein concentration, PEG 4000 as the precipitant. |
