4NLI
Crystal structure of sheep beta-lactoglobulin (space group P3121)
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 31 2 1 |
| Unit cell lengths | 97.440, 97.440, 68.240 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 35.890 - 1.900 |
| Rwork | 0.194 |
| R-free | 0.20568 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3blg |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.350 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.890 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.080 | 0.272 |
| Number of reflections | 29826 | |
| <I/σ(I)> | 22.2 | 9.8 |
| Completeness [%] | 100.0 | 100 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 2.2M ammonium sulphate, 0.05M Tris-HCl, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
