4P0H
Crystal Structure Analysis of Macrophage Migration Inhibitory Factor in complex with Dimethylformamide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2013-10-13 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 95.794, 95.794, 103.991 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 47.900 - 1.930 |
| R-factor | 0.178 |
| Rwork | 0.176 |
| R-free | 0.21700 |
| RMSD bond length | 0.022 |
| RMSD bond angle | 1.836 |
| 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] | 50.000 | 50.000 | 1.960 |
| High resolution limit [Å] | 1.930 | 5.240 | 1.930 |
| Rmerge | 0.032 | 0.022 | 0.131 |
| Total number of observations | 276840 | ||
| Number of reflections | 41870 | ||
| <I/σ(I)> | 26.8 | ||
| Completeness [%] | 100.0 | 99.3 | 100 |
| Redundancy | 6.6 | 6.3 | 6.4 |
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 |
