5IO6
Bovine beta-lactoglobulin complex with dodecane, ambient pressure
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | OXFORD DIFFRACTION ENHANCE ULTRA |
| Temperature [K] | 298 |
| Detector technology | CCD |
| Collection date | 2008-11-26 |
| Detector | Nonius Kappa CCD |
| Wavelength(s) | 0.71069 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 53.193, 53.193, 112.019 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.150 - 2.851 |
| R-factor | 0.2058 |
| Rwork | 0.199 |
| R-free | 0.27750 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3lbg |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.182 |
| 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] | 20.150 | 3.040 |
| High resolution limit [Å] | 2.850 | 2.850 |
| Rmerge | 0.098 | 0.495 |
| Number of reflections | 4645 | |
| <I/σ(I)> | 1.6 | 4.22 |
| Completeness [%] | 96.0 | 97.4 |
| Redundancy | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 1.34 M citric sodium |
