3CFL
Crystal structure of the complex formed between C-lobe of bovine lactoferrin and 5-chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]-2,3'-bipyridine at 2.25 A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 300 |
| Detector technology | IMAGE PLATE |
| Collection date | 2007-11-20 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 63.514, 50.395, 65.863 |
| Unit cell angles | 90.00, 107.97, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.250 |
| R-factor | 0.1854 |
| Rwork | 0.183 |
| R-free | 0.22458 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2dyx |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.407 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.290 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Number of reflections | 17086 | |
| <I/σ(I)> | 7.9 | 1.8 |
| Completeness [%] | 94.6 | 91.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 0.01M ZnSO4, 0.1M MES, 25% PEG, Monomethyl Ether 550, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
