5UMK
Crystal structure of H62Y mutant of human macrophage migration inhibitory factor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-04-16 |
| Detector | DECTRIS PILATUS 200K |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 68.106, 68.305, 86.630 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.230 - 1.730 |
| R-factor | 0.1476 |
| Rwork | 0.146 |
| R-free | 0.17510 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3djh |
| RMSD bond length | 0.026 |
| RMSD bond angle | 2.047 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 (5.8.0131) |
| Phasing software | PHASER (3.22) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.760 |
| High resolution limit [Å] | 1.730 | 4.690 | 1.730 |
| Rmerge | 0.041 | 0.036 | 0.067 |
| Rmeas | 0.046 | 0.041 | 0.085 |
| Rpim | 0.021 | 0.019 | 0.052 |
| Total number of observations | 174731 | ||
| Number of reflections | 42758 | 2150 | |
| <I/σ(I)> | 24.6 | ||
| Completeness [%] | 99.2 | 92.3 | 99.5 |
| Redundancy | 4.1 | 4.2 | 2.2 |
| CC(1/2) | 0.997 | 0.987 |
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 |
