7KOT
Energetic and structural effects of the Tanford transition on the ligand recognition of bovine Beta-lactoglobulin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-03-16 |
| Detector | DECTRIS PILATUS 200K |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 53.652, 53.652, 112.021 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 46.460 - 1.740 |
| Rwork | 0.193 |
| R-free | 0.22860 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1beb |
| RMSD bond length | 0.019 |
| RMSD bond angle | 2.222 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.460 | 1.770 |
| High resolution limit [Å] | 1.740 | 1.740 |
| Number of reflections | 19905 | 978 |
| <I/σ(I)> | 83.2 | |
| Completeness [%] | 99.6 | |
| Redundancy | 14.1 | |
| CC(1/2) | 0.890 | 0.890 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 277.15 | 0.1 M NaCl, pH 4.5 and in 0.05 M Tris-HCl, 0.1 M NaCl, pH 8.0 |
