3B9S
Macrophage Migration Inhibitory Factor (MIF) complexed with Inhibitor, 4-IPP.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Detector technology | IMAGE PLATE |
| Collection date | 2007-04-15 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 67.891, 67.995, 88.296 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.800 |
| R-factor | 0.19883 |
| Rwork | 0.197 |
| R-free | 0.22993 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ooh |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.446 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.062 | 0.496 |
| Number of reflections | 37617 | |
| <I/σ(I)> | 16.6 | |
| Completeness [%] | 97.4 | 96.3 |
| Redundancy | 4.5 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 2M ammonium sulfate, 4% isopropanol, 0.1 M tris(hydroxymethyl)aminomethan; mixed with protein:inhibitor complex in a 1:10 ratio, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
