5BSJ
Crystal structure of S63A 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 | 2015-05-21 |
| Detector | DECTRIS PILATUS 200K |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 95.785, 95.785, 103.889 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 47.890 - 2.000 |
| R-factor | 0.1845 |
| Rwork | 0.183 |
| R-free | 0.21050 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3djh |
| RMSD bond length | 0.023 |
| RMSD bond angle | 1.854 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0107) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.030 |
| High resolution limit [Å] | 2.000 | 5.430 | 2.000 |
| Rmerge | 0.052 | 0.041 | 0.090 |
| Rmeas | 0.057 | 0.046 | 0.100 |
| Rpim | 0.023 | 0.020 | 0.044 |
| Total number of observations | 218068 | ||
| Number of reflections | 37683 | ||
| <I/σ(I)> | 17.5 | ||
| Completeness [%] | 99.8 | 98.5 | 98.8 |
| Redundancy | 5.8 | 5 | 5.1 |
| CC(1/2) | 0.997 | 0.991 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 2 M ammonium sulfate, 3% 2-propanol, 0.1 M Tris-HCl, pH 7.5 |
