4IBA
Bovine beta-lactoglobulin (isoform B) in complex with dodecyl sulphate (SDS)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | OTHER |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2012-04-24 |
| Detector | AGILENT ATLAS CCD |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 53.430, 53.430, 111.500 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 12.990 - 2.300 |
| R-factor | 0.22341 |
| Rwork | 0.217 |
| R-free | 0.28113 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1bsy |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.372 |
| 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] | 12.990 | 2.420 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.026 | 0.070 |
| Number of reflections | 8561 | |
| <I/σ(I)> | 20.7 | 6.4 |
| Completeness [%] | 99.1 | 98.9 |
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 |
