9I7N
Beta-lactoglobulin complex with retinol post lyophilization
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | OXFORD DIFFRACTION GEMINI |
| Temperature [K] | 291 |
| Detector technology | CCD |
| Collection date | 2024-10-25 |
| Detector | OXFORD ONYX CCD |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 53.749, 53.749, 113.063 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 14.650 - 1.950 |
| R-factor | 0.1806 |
| Rwork | 0.179 |
| R-free | 0.21100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.272 |
| Data reduction software | XDS (20230630) |
| Data scaling software | Aimless (0.8.2) |
| Phasing software | PHASER (2.8.3) |
| Refinement software | PHENIX (1.21.2_5419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 14.650 | 2.000 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.081 | 1.338 |
| Rmeas | 0.086 | 1.457 |
| Rpim | 0.030 | 0.566 |
| Number of reflections | 14354 | 993 |
| <I/σ(I)> | 15.2 | 1.3 |
| Completeness [%] | 99.7 | 99.8 |
| Redundancy | 8.3 | 6.5 |
| CC(1/2) | 0.998 | 0.538 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.4 | 293 | 2.4 M ammonium sulfate 0.5 M TRIS |
