1NKX
CRYSTAL STRUCTURE OF A PROTEOLYTICALLY GENERATED FUNCTIONAL MONOFERRIC C-LOBE OF BOVINE LACTOFERRIN AT 1.9A RESOLUTION
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 283 |
| Detector technology | IMAGE PLATE |
| Collection date | 2002-07-12 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 63.359, 50.471, 65.934 |
| Unit cell angles | 90.00, 107.72, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.900 |
| R-factor | 0.202 |
| Rwork | 0.192 |
| R-free | 0.22100 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1blf |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.300 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.1.19) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.057 | 0.230 |
| Total number of observations | 172337 * | |
| Number of reflections | 29084 | |
| <I/σ(I)> | 17.5 | 3.6 |
| Completeness [%] | 97.0 | 84 |
| Redundancy | 20. * | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.5 | 25 * | 0.1M MES, 25% POLYETHYLENE GLYCOL MONOMETHYL ETHER 550 AND 0.01 M ZINC SULPHATE, pH 6.5, VAPOR DIFFUSION, temperature 298K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 50 (mg/ml) | |
| 2 | 1 | reservoir | MES | 0.1 (M) | pH6.5 |
| 3 | 1 | reservoir | PEG550 MME | 25 (%(v/v)) | |
| 4 | 1 | reservoir | zinc sulphate heptahydrate | 0.01 (M) |
