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 |
