3NQ9
Bovine beta-lactoglobulin complex with caprylic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SEALED TUBE |
Source details | OXFORD DIFFRACTION ENHANCE ULTRA |
Temperature [K] | 110 |
Detector technology | CCD |
Collection date | 2009-12-07 |
Detector | OXFORD TITAN CCD |
Wavelength(s) | 1.54 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 53.470, 53.470, 112.060 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 9.840 - 1.900 |
R-factor | 0.23713 |
Rwork | 0.233 |
R-free | 0.30878 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1bsy |
RMSD bond length | 0.016 |
RMSD bond angle | 1.879 |
Data reduction software | CrysalisPro |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 10.000 | 2.000 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.046 | 0.319 |
Number of reflections | 14894 | |
<I/σ(I)> | 10.5 | 1.9 |
Completeness [%] | 98.3 | 97.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 1.34M trisodium citrate, 0.1M Tris-HCl buffer, 10mM caprylic acid in 96% ethanol , pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |