3DJI
Crystal Structure of Macrophage Migration Inhibitory Factor Bound to an Acetaminophen Dimer Derived from NAPQI
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 94 |
| Detector technology | IMAGE PLATE |
| Collection date | 2008-05-02 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 69.974, 60.899, 77.806 |
| Unit cell angles | 90.00, 93.28, 90.00 |
Refinement procedure
| Resolution | 77.680 - 1.950 |
| R-factor | 0.209 |
| Rwork | 0.209 |
| R-free | 0.24700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3djh |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.457 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 90.000 | 2.020 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.070 | 0.443 |
| Number of reflections | 47844 | |
| <I/σ(I)> | 15.5 | |
| Completeness [%] | 99.7 | 100 |
| Redundancy | 3.6 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 295 | 2 M Ammonium sulfate, 3% Isopropanol, 0.1 M Tris(hydroxymethyl)aminomethane, mixed with protein-inhibitor complex in a 1:1 ratio, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
