5IO7
Bovine beta-lactoglobulin complex with dodecane at high pressure (0.43 GPa)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SEALED TUBE |
Source details | OXFORD DIFFRACTION ENHANCE ULTRA |
Temperature [K] | 298 |
Detector technology | CCD |
Collection date | 2009-03-03 |
Detector | Nonius Kappa CCD |
Wavelength(s) | 0.71069 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 53.073, 53.073, 111.722 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 17.370 - 2.850 |
R-factor | 0.2543 |
Rwork | 0.213 |
R-free | 0.22880 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3lgb |
RMSD bond length | 0.007 |
RMSD bond angle | 1.082 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 17.370 | 2.770 |
High resolution limit [Å] | 2.850 | 2.650 |
Rmerge | 0.231 | 0.672 |
Number of reflections | 5671 | |
<I/σ(I)> | 1.55 | 2.63 |
Completeness [%] | 91.0 | 72.4 |
Redundancy | 1.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 1.34 M citric sodium |