5NUJ
Engineered beta-lactoglobulin: variant I56F-L39A in complex with chlorpromazine (LG-FA-CLP)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SEALED TUBE |
Source details | OXFORD DIFFRACTION NOVA |
Temperature [K] | 120 |
Detector technology | CCD |
Collection date | 2016-01-13 |
Detector | AGILENT ATLAS CCD |
Wavelength(s) | 1.54 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 54.012, 54.012, 111.344 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 14.920 - 2.600 |
R-factor | 0.24103 |
Rwork | 0.224 |
R-free | 0.33124 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1bsy |
RMSD bond length | 0.011 |
RMSD bond angle | 1.457 |
Data reduction software | CrysalisPro |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 14.920 | 2.760 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.094 | 0.360 |
Number of reflections | 6093 | 975 |
<I/σ(I)> | 6.8 | 1.9 |
Completeness [%] | 99.0 | 99.4 |
Redundancy | 3.1 | 2.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 2.80 M (NH4)2SO4 in 0.1 M Tris-HCl, pH 8.0 |