5LKF
Bovine beta-lactoglobulin complex with myristic acid at high pressure (0.55 GPa)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SEALED TUBE |
Source details | OXFORD DIFFRACTION ENHANCE ULTRA |
Temperature [K] | 298 |
Detector technology | CCD |
Collection date | 2012-03-27 |
Detector | AGILENT ATLAS CCD |
Wavelength(s) | 0.7107 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 52.757, 52.757, 110.446 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 7.360 - 2.500 |
R-factor | 0.275 |
Rwork | 0.256 |
R-free | 0.39750 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3uev |
RMSD bond length | 0.011 |
RMSD bond angle | 1.554 |
Data reduction software | CrysalisPro |
Data scaling software | Aimless (0.3.11) |
Phasing software | PHASER (2.5.6) |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 7.360 | 2.650 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.480 | 0.617 |
Rmeas | 0.086 | 0.630 |
Rpim | 0.167 | 1.214 |
Total number of observations | 135275 | 23687 |
Number of reflections | 5846 | |
<I/σ(I)> | 7.6 | 0.8 |
Completeness [%] | 91.0 | 93.3 |
Redundancy | 23.1 | 24.8 |
CC(1/2) | 0.966 | 0.381 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 1.34 M CITRIC SODIUM, 0.1 M TRIS-HCL, |