3KER
D-Dopachrome tautomerase (D-DT)/ macrophage migration inhibitory factor 2 (MIF2) complexed with inhibitor 4-IPP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2009-10-15 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 63 |
| Unit cell lengths | 82.172, 82.172, 144.253 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 31.230 - 2.780 |
| Rwork | 0.222 |
| R-free | 0.23800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3kan |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.390 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (2.1.4) |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.880 |
| High resolution limit [Å] | 2.780 | 2.780 |
| Rmerge | 0.121 | 0.514 |
| Number of reflections | 13925 | |
| <I/σ(I)> | 6.2 | |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 4.3 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 1M Sodium Citrate, 0.1M Tris, 0.2M NaCl, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
