5NUN
Engineered beta-lactoglobulin: variant F105L-L39A-M107F in complex with chlorpromazine (LG-LAF-CLP)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | OXFORD DIFFRACTION NOVA |
| Temperature [K] | 130 |
| Detector technology | CCD |
| Collection date | 2016-04-04 |
| Detector | AGILENT ATLAS CCD |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 53.657, 53.657, 110.700 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 13.840 - 1.950 |
| R-factor | 0.21948 |
| Rwork | 0.215 |
| R-free | 0.26222 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1bsy |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.727 |
| 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] | 13.840 | 2.000 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.078 | 0.334 |
| Number of reflections | 13945 | 1043 |
| <I/σ(I)> | 6.6 | 2 |
| Completeness [%] | 99.5 | 98.9 |
| Redundancy | 2.7 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 2.40 M (NH4)2SO4 in 0.1 M Tris-HCl, pH 8.0 |
