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 |