4OMX
Crystal structure of goat beta-lactoglobulin (trigonal form)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | OXFORD DIFFRACTION ENHANCE ULTRA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-03-05 |
| Detector | AGILENT ATLAS CCD |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 97.490, 97.490, 67.820 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 14.280 - 2.300 |
| R-factor | 0.19573 |
| Rwork | 0.193 |
| R-free | 0.23987 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1beb |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.408 |
| Data reduction software | CrysalisPro |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 14.280 | 2.420 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.080 | 0.392 |
| Number of reflections | 16871 | |
| <I/σ(I)> | 9.7 | 2 |
| Completeness [%] | 99.4 | 100 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 2.3 M (NH4)2SO4 in 0.5 M Tris-HCl pH 8.5 , VAPOR DIFFUSION, HANGING DROP, temperature 293K |
