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 |