3IB2
structure of the complex of C-terminal half (C-lobe) of bovine lactoferrin with alpha-methyl-4-(2-methylpropyl) benzene acetic acid
Replaces: 3HWQReplaces: 2QZ1Replaces: 3FKXExperimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 300 |
| Detector technology | IMAGE PLATE |
| Collection date | 2007-07-18 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 63.319, 50.480, 66.116 |
| Unit cell angles | 90.00, 107.75, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.290 |
| R-factor | 0.168 |
| Rwork | 0.165 |
| R-free | 0.22000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2dwa |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.710 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.380 |
| High resolution limit [Å] | 2.290 | 2.290 |
| Rmerge | 0.125 | |
| Number of reflections | 15854 | |
| <I/σ(I)> | 1.9 | |
| Completeness [%] | 89.0 | 90.2 |
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, PH6.5, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298K |
