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 |