6CBF
Macrophage Migration Inhibitory Factor in Complex with a Pyrazole Inhibitor (6a)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-09-22 |
| Detector | RIGAKU SATURN 944+ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 68.305, 68.310, 83.309 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 52.820 - 2.300 |
| R-factor | 0.23737 |
| Rwork | 0.232 |
| R-free | 0.28192 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.344 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 52.820 | 2.360 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Number of reflections | 17430 | |
| <I/σ(I)> | 16.23 | |
| Completeness [%] | 97.0 | |
| Redundancy | 6.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 2.4M ammonium sulfate, 3% isopropanol, 0.1M Tris pH 6.5 |
