4OMW
Crystal structure of goat beta-lactoglobulin (orthorhombic form)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX II BEAMLINE I911-3 |
| Synchrotron site | MAX II |
| Beamline | I911-3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-05-23 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 150.050, 95.270, 55.350 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.600 - 2.300 |
| R-factor | 0.22697 |
| Rwork | 0.225 |
| R-free | 0.26710 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1beb |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.446 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.600 | 2.420 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.071 | 0.498 |
| Number of reflections | 36096 | |
| <I/σ(I)> | 20.8 | 4.8 |
| Completeness [%] | 99.9 | 100 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 2.2 M (NH4)2SO4 in 0.5 M Tris-HCl pH 7.5, 5 mM tetracaine, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
