5HTD
Recombinant bovine beta-lactoglobulin variant L1A/I2S with endogenous ligand (sBlgB#1)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | Agilent SuperNova |
| Temperature [K] | 120 |
| Detector technology | CCD |
| Collection date | 2013-12-02 |
| Detector | AGILENT ATLAS CCD |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 53.486, 53.486, 111.039 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 13.750 - 2.500 |
| R-factor | 0.21418 |
| Rwork | 0.201 |
| R-free | 0.27232 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1bsy |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.116 |
| Data reduction software | CrysalisPro |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 13.750 | 2.620 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.072 | 0.348 |
| Number of reflections | 6699 | |
| <I/σ(I)> | 8.4 | 1.8 |
| Completeness [%] | 98.9 | 98.8 |
| Redundancy | 2.8 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 1.34 M sodium citrate in 0.1 M Tris pH 7.5 |
