5HVT
Crystal Structure of Macrophage Migration Inhibitory Factor (MIF) with a Potent Inhibitor (NVS-2)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-03-04 |
| Detector | RIGAKU SATURN 944+ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 96.023, 96.023, 104.039 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 83.160 - 1.750 |
| R-factor | 0.1798 |
| Rwork | 0.177 |
| R-free | 0.20270 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ooh |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.407 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 83.160 | 83.160 | 1.780 |
| High resolution limit [Å] | 1.750 | 4.750 | 1.750 |
| Rmerge | 0.086 | 0.037 | 0.795 |
| Rmeas | 0.092 | 0.039 | 0.919 |
| Rpim | 0.032 | 0.012 | 0.457 |
| Total number of observations | 396624 | ||
| Number of reflections | 56173 | ||
| <I/σ(I)> | 15.3 | ||
| Completeness [%] | 100.0 | 99.4 | 99.9 |
| Redundancy | 7.1 | 10.1 | 4 |
| CC(1/2) | 0.999 | 0.646 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293.15 | 2.0 M Ammonium Sulfate, 3% isopropanol and 0.1 M Tris pH 7.0 |
