6CB5
Macrophage Migration Inhibitory Factor in complex with a Pyrazole Inhibitor (8g)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-12-21 |
| Detector | RIGAKU SATURN 944+ |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 68.250, 69.125, 89.246 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.490 - 1.780 |
| R-factor | 0.1796 |
| Rwork | 0.178 |
| R-free | 0.21250 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6b1k |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.953 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.810 |
| High resolution limit [Å] | 1.780 | 1.780 |
| Rmeas | 0.086 | 0.826 |
| Rpim | 0.033 | 0.491 |
| Number of reflections | 40550 | 1592 |
| <I/σ(I)> | 21.8 | 1.3 |
| Completeness [%] | 98.3 | 78.7 |
| Redundancy | 6.5 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293.15 | 2.0 M AMMONIUM SULFATE, 0.1 M TRIS-HCL PH 7.0, 3% ISOPROPANOL |
