9JJ0
Macrophage migration inhibitory factor Y100H mutant complexed with three Zinc ions (Zn3-MIF(Y100H))
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL41XU |
| Synchrotron site | SPring-8 |
| Beamline | BL41XU |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-01-25 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 67.906, 68.320, 87.629 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.160 - 1.250 |
| Rwork | 0.118 |
| R-free | 0.14630 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.806 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.160 | 1.270 |
| High resolution limit [Å] | 1.250 | 1.250 |
| Rmerge | 0.046 | 1.017 |
| Number of reflections | 113184 | 5530 |
| <I/σ(I)> | 23.6 | 2.7 |
| Completeness [%] | 100.0 | |
| Redundancy | 13.8 | |
| CC(1/2) | 1.000 | 0.842 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 2.0M ammonium sulfate, 20mM Tris-HCl buffer (pH 7.5), 3% isopropanol |
