4WRB
Macrophage Migration Inhibitory Factor in complex with a biaryltriazole inhibitor (3b-190)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-12-03 |
| Detector | RIGAKU SATURN 944+ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 67.294, 67.896, 89.633 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 54.120 - 1.810 |
| R-factor | 0.17705 |
| Rwork | 0.174 |
| R-free | 0.20531 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.439 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 54.120 | 1.840 |
| High resolution limit [Å] | 1.810 | 1.810 |
| Rmerge | 0.080 | 0.590 |
| Number of reflections | 38289 | |
| <I/σ(I)> | 24.2 | 1.99 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 5 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293.15 | 2.2M ammonium sulfate, 0.1M Tris-HCl pH 7, 3% isopropanol |
