5XDX
Bovine heart cytochrome c oxidase in the reduced state with pH 7.3 at 1.99 angstrom resolution
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 | CCD |
| Collection date | 2014-11-15 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 0.9 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 183.044, 205.691, 177.797 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 - 1.990 |
| R-factor | 0.1832 |
| Rwork | 0.182 |
| R-free | 0.20250 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1v55 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.259 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0048) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 200.000 | 200.000 | 2.000 |
| High resolution limit [Å] | 1.980 | 6.770 | 1.980 |
| Rmerge | 0.112 | 0.055 | 0.996 |
| Rmeas | 0.114 | 0.056 | |
| Rpim | 0.025 | 0.012 | 0.423 |
| Total number of observations | 6511008 | ||
| Number of reflections | 457705 | 11993 | 11291 |
| <I/σ(I)> | 11.7 | ||
| Completeness [%] | 99.9 | 99.1 | 99.6 |
| Redundancy | 14.2 | 25 | 6.2 |
| CC(1/2) | 0.999 | 0.751 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 7.3 | 277 | 3% PEG 1500, 0.20% decal maltoside, 0.35% fluorinated octyl-maltoside, 25mM Tris-HCL(pH 7.3), 20mM sodium acetate |
