2GJ5
Crystal structure of a secondary vitamin D3 binding site of milk beta-lactoglobulin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL12B2 |
| Synchrotron site | SPring-8 |
| Beamline | BL12B2 |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2005-11-21 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 53.782, 53.782, 111.578 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 15.000 - 2.400 |
| R-factor | 0.241 |
| Rwork | 0.236 |
| R-free | 0.29800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2blg |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.283 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 15.000 | 2.180 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Number of reflections | 7671 | |
| Completeness [%] | 85.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.1M HEPES, 1.4M tri-sodium citrate dehydrate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
