2R9J
Ligand recognition in C-lobe: The crystal structure of the complex of lactoferrin C-lobe with nicotinamide at 2.5 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 | 2007-08-18 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 63.330, 50.340, 65.910 |
| Unit cell angles | 90.00, 107.65, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.550 |
| Rwork | 0.225 |
| R-free | 0.24880 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2dwi |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 20.000 |
| High resolution limit [Å] | 2.550 | 2.550 |
| Number of reflections | 12589 | |
| <I/σ(I)> | 5.6 | 1.6 |
| Completeness [%] | 96.5 | 96.5 |
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 |
