3U18
Chicago Sky Blue 6B, A Novel Inhibitor for Macrophage Migration Inhibitory Factor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | OXFORD DIFFRACTION ENHANCE ULTRA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-03-03 |
| Detector | OXFORD ONYX CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 67.857, 67.907, 86.572 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.340 - 1.900 |
| R-factor | 0.14274 |
| Rwork | 0.141 |
| R-free | 0.17701 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1mif |
| RMSD bond length | 0.024 |
| RMSD bond angle | 2.337 |
| Data reduction software | CrysalisPro |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.340 | 1.990 |
| High resolution limit [Å] | 1.890 | 1.890 |
| Rmerge | 0.208 | |
| Number of reflections | 32640 | |
| <I/σ(I)> | 13.9 | 4.4 |
| Completeness [%] | 99.7 | 98.1 |
| Redundancy | 4.8 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8 | 310 | 100 mM p425 dissolved in 2.0 M ammonium sulfate, 4% 2-propanol, 0.1 M Tris, VAPOR DIFFUSION, temperature 310K, pH 8 |
