5HTE
Recombinant bovine beta-lactoglobulin variant L1A/I2S (sBlgB#2)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | Agilent SuperNova |
| Temperature [K] | 120 |
| Detector technology | CCD |
| Collection date | 2014-05-13 |
| Detector | AGILENT ATLAS CCD |
| Wavelength(s) | 1.54 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 54.846, 79.092, 65.702 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 13.820 - 2.400 |
| R-factor | 0.22989 |
| Rwork | 0.211 |
| R-free | 0.30327 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1b8e |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.465 |
| 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] | 13.820 | 2.490 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.047 | 0.616 |
| Number of reflections | 5653 | |
| <I/σ(I)> | 13.7 | 2 |
| Completeness [%] | 97.4 | 97.8 |
| Redundancy | 2.5 | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 2.3 M (NH4)2SO4 in 0.5 M Tris-HCl pH 8.5 |
