6CBG
Macrophage Migration Inhibitory Factor in Complex with a Pyrazole Inhibitor (5)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-07-19 |
| Detector | RIGAKU SATURN 944+ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 68.331, 68.258, 86.753 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 53.680 - 2.000 |
| R-factor | 0.1715 |
| Rwork | 0.168 |
| R-free | 0.20474 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4wrb |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.402 |
| 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] | 53.680 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 24739 | |
| <I/σ(I)> | 49.23 | |
| Completeness [%] | 97.9 | |
| Redundancy | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293.15 | 2.4M ammonium sulfate, 3% isopropanol, 0.1M Tris pH 7 |
