4P7M
Crystal structure of Plasmodium falciparum MIF in complex with 3-[(2-methyl-6-phenylpyridin-4-yl)oxy]phenol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 93 |
| Detector technology | IMAGE PLATE |
| Collection date | 2013-09-14 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 79.036, 79.750, 97.082 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.020 - 3.020 |
| R-factor | 0.2505 |
| Rwork | 0.247 |
| R-free | 0.32430 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.467 |
| 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 | 3.070 |
| High resolution limit [Å] | 3.020 | 8.190 | 3.020 |
| Rmerge | 0.078 | 0.049 | 0.301 |
| Total number of observations | 30549 | ||
| Number of reflections | 6087 | ||
| <I/σ(I)> | 13.5 | ||
| Completeness [%] | 96.8 | 85.2 | 98.7 |
| Redundancy | 5 | 4.9 | 5.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 2 M ammonium sulphate, 0.1 M NaCl, 0.1 M Tris.HCl pH 8.0 |
