4F2K
Macrophage Migration Inhibitory Factor covalently complexed with phenethylisothiocyanate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2011-10-13 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 67.728, 68.245, 88.715 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.640 - 1.530 |
| R-factor | 0.1902 |
| Rwork | 0.188 |
| R-free | 0.22760 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3l5v |
| RMSD bond length | 0.029 |
| RMSD bond angle | 2.193 |
| Data reduction software | CrystalClear |
| Data scaling software | CrystalClear |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 31.640 | 1.580 |
| High resolution limit [Å] | 1.530 | 1.530 |
| Rmerge | 0.057 | 0.389 |
| Number of reflections | 51308 | |
| <I/σ(I)> | 14 | 2.2 |
| Completeness [%] | 81.4 | 14 |
| Redundancy | 5.31 | 2.13 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 1.9M (NH4)2SO4, 100mM Tris pH 8.0, 200mM NaCl, 4% v/v isopropanol, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
