3UEX
Bovine beta-lactoglobulin complex with stearic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SEALED TUBE |
Source details | OTHER |
Temperature [K] | 110 |
Detector technology | CCD |
Collection date | 2010-01-14 |
Detector | AGILENT ATLAS CCD |
Wavelength(s) | 1.54 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 53.778, 53.778, 112.038 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 15.000 - 2.100 |
R-factor | 0.2353 |
Rwork | 0.230 |
R-free | 0.28366 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1bsy |
RMSD bond length | 0.014 |
RMSD bond angle | 1.592 |
Data reduction software | CrysalisPro (PRO) |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 15.000 | 2.210 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.067 | 0.235 |
Number of reflections | 11250 | |
<I/σ(I)> | 5 | 2 |
Completeness [%] | 98.2 | 96.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 1.34 M trisodium citrarte, 0.1 Tris-HCl buffer, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 239K, temperature 293K |