3BVD
Structure of Surface-engineered Cytochrome ba3 Oxidase from Thermus thermophilus under Xenon Pressure, 100psi 5min
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-1 |
| Synchrotron site | SSRL |
| Beamline | BL9-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-02-02 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 119.726, 119.726, 153.535 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 26.960 - 3.370 |
| Rwork | 0.292 |
| R-free | 0.33550 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1xme |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.304 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 27.160 | 3.550 |
| High resolution limit [Å] | 3.370 | 3.370 |
| Rmerge | 0.068 | 0.463 |
| Number of reflections | 16341 | |
| <I/σ(I)> | 8.1 | 1.8 |
| Completeness [%] | 99.7 | 100 |
| Redundancy | 4.5 | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7 | 297 | 6-9% PEG 2000, 50mM KCl, 7.5-30mM bis-Tris pH 7.0, 6.5mM nonyl-B-D-glucopyranoside , VAPOR DIFFUSION, temperature 297K |
