6T44
Ovine lactoglobulin complex with decanol
This is a non-PDB format compatible entry.
Replaces: 5EEDExperimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SEALED TUBE |
Source details | Agilent SuperNova |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-05-29 |
Detector | AGILENT ATLAS CCD |
Wavelength(s) | 1.54 |
Spacegroup name | P 62 |
Unit cell lengths | 108.340, 108.340, 55.856 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 14.080 - 2.000 |
R-factor | 0.19855 |
Rwork | 0.196 |
R-free | 0.24840 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4nli |
RMSD bond length | 0.011 |
RMSD bond angle | 1.686 |
Data reduction software | CrysalisPro |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 14.080 | 2.050 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.058 | 0.436 |
Number of reflections | 25315 | 1832 |
<I/σ(I)> | 12.8 | 1.3 |
Completeness [%] | 99.6 | 99.7 |
Redundancy | 2.7 | |
CC(1/2) | 0.997 | 0.728 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 1.30 M sodium citrate in 0.2 M Tris pH 8.5, decanol |