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 |