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 |