4IB6
Bovine beta-lactoglobulin (isoform A) in complex with lauric acid (C12)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | OTHER |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2012-04-03 |
| Detector | AGILENT ATLAS CCD |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 53.100, 53.100, 111.020 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 13.620 - 2.200 |
| R-factor | 0.21888 |
| Rwork | 0.213 |
| R-free | 0.26795 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1bsy |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.504 |
| Data reduction software | CrysalisPro |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 13.620 | 2.320 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.046 | 0.137 |
| Number of reflections | 9605 | |
| <I/σ(I)> | 13 | 3.6 |
| Completeness [%] | 99.3 | 100 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 1.34M TRISODIUM CITRATE, 0.1M TRIS-HCL BUFFER, PH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
