6BG6
Crystal structure of S111A mutant of human macrophage migration inhibitory factor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-10-08 |
| Detector | DECTRIS PILATUS 200K |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 68.267, 68.360, 86.542 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.300 - 1.520 |
| R-factor | 0.153 |
| Rwork | 0.152 |
| R-free | 0.17400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3djh |
| RMSD bond length | 0.025 |
| RMSD bond angle | 2.148 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.550 |
| High resolution limit [Å] | 1.520 | 1.520 |
| Rmerge | 0.069 | 0.208 |
| Number of reflections | 62587 | |
| <I/σ(I)> | 19.8 | |
| Completeness [%] | 99.3 | 98.5 |
| Redundancy | 4.7 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 2 M Ammonium Sulphate, 3% 2-propanol, 100 mM Tris.HCl, pH 7.5 |
