1MFI
CRYSTAL STRUCTURE OF MACROPHAGE MIGRATION INHIBITORY FACTOR COMPLEXED WITH (E)-2-FLUORO-P-HYDROXYCINNAMATE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 298 |
| Detector technology | IMAGE PLATE |
| Collection date | 1998-05 |
| Detector | RIGAKU RAXIS IV++ |
| Spacegroup name | H 3 |
| Unit cell lengths | 99.530, 99.530, 105.690 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 1.800 |
| R-factor | 0.178 |
| Rwork | 0.178 |
| R-free | 0.22700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2.6 ANGSTROMS RESOLUTION NATIVE STRUCTURE OF MACROPHAGE MIGRATION INHIBITORY FACTOR FROM MOUSE |
| RMSD bond length | 0.016 |
| RMSD bond angle | 27.400 * |
| Data reduction software | DENZO |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | X-PLOR (3.851) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.076 * | 0.330 * |
| Total number of observations | 207686 * | |
| Number of reflections | 35875 | |
| <I/σ(I)> | 5.3 | 2 |
| Completeness [%] | 99.1 | 97.1 |
| Redundancy | 3.8 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7.4 * | 22 * | pH 7.0 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 16 (mg/ml) | |
| 2 | 1 | drop | Tris | 20 (mM) | pH7.4 |
| 3 | 1 | drop | 20 (mM) | ||
| 4 | 1 | reservoir | PEG8000 | 30 (%) | |
| 5 | 1 | reservoir | sodium phosphate | 50 (mM) | pH7.0 |
