4NLJ
Crystal structure of sheep beta-lactoglobulin (space group P1)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | OXFORD DIFFRACTION ENHANCE ULTRA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-07-09 |
| Detector | AGILENT ATLAS CCD |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 1 |
| Unit cell lengths | 36.180, 47.540, 50.240 |
| Unit cell angles | 70.40, 76.56, 72.10 |
Refinement procedure
| Resolution | 14.540 - 1.400 |
| Rwork | 0.188 |
| R-free | 0.21788 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1qg5 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.542 |
| 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] | 14.540 | 1.480 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.035 | 0.401 |
| Number of reflections | 56652 | |
| <I/σ(I)> | 13.6 | 2.1 |
| Completeness [%] | 96.6 | 94.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 2.1M ammonium sulphate, 0.05M Tris-HCl, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
