6GHH
Thermodynamic, Crystallographic and Computational Studies of Non Mammalian Fatty Acid Binding to Bovine b-Lactoglobulin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SEALED TUBE |
Source details | OXFORD DIFFRACTION NOVA |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-05-19 |
Detector | AGILENT ATLAS CCD |
Wavelength(s) | 1.54 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 53.588, 53.588, 111.607 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 13.800 - 1.900 |
R-factor | 0.1992 |
Rwork | 0.197 |
R-free | 0.24751 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1gx9 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.697 |
Data reduction software | DENZO |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0222) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 13.800 | 2.010 |
High resolution limit [Å] | 1.900 | 1.900 |
Number of reflections | 17826 | |
<I/σ(I)> | 8.2 | |
Completeness [%] | 99.7 | |
Redundancy | 4.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.3 | 293.2 | protein 20 mg/mL, ligand 10mM, 20mM Tris buffer, pH 8, which were mixed with 4 microliter of well solution. Drops were equilibrated against 1 mL of well solution containing 1.43 M sodium citrate and 0.1M Hepes, pH 7.5 |