7KP5
Energetic and structural effects of the Tanford transition on the ligand recognition of bovine Beta-lactoglobulin
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-07-03 |
| Detector | DECTRIS PILATUS 200K |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 35.747, 69.788, 140.331 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.860 - 2.400 |
| R-factor | 0.237 |
| Rwork | 0.235 |
| R-free | 0.26850 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1beb |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.758 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | BALBES |
| Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.860 | 2.430 |
| High resolution limit [Å] | 2.390 | 2.390 |
| Number of reflections | 14623 | 697 |
| <I/σ(I)> | 35.7 | |
| Completeness [%] | 99.9 | |
| Redundancy | 7.3 | |
| CC(1/2) | 0.950 | 0.850 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 277.15 | 12-15 mg/mL protein in 0.05M acetate and 0.1 M NaCl. Combined 1:1 with 0.05M KH2PO4, 20% PEG |
