4PLU
Crystal structure of Macrophage Migration Inhibitory Factor in complex with benzaldehyde
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 93 |
| Detector technology | IMAGE PLATE |
| Collection date | 2013-11-20 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 67.601, 67.812, 88.323 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.090 - 1.630 |
| R-factor | 0.1842 |
| Rwork | 0.182 |
| R-free | 0.21360 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.024 |
| RMSD bond angle | 2.087 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0071) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.660 |
| High resolution limit [Å] | 1.630 | 4.420 | 1.630 |
| Rmerge | 0.029 | 0.023 | 0.214 |
| Total number of observations | 237341 | ||
| Number of reflections | 50847 | ||
| <I/σ(I)> | 26.5 | ||
| Completeness [%] | 98.7 | 95 | 97.6 |
| Redundancy | 4.7 | 4.5 | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 2 M ammonium Sulphate, 3% 2-propanol,20 mM Tris.HCl pH 7.5 |
