6B1C
Macrophage Migration Inhibitory Factor in complex with a Naphthyridinone Inhibitor (4a)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-07-27 |
| Detector | RIGAKU SATURN 944+ |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 95.959, 95.959, 104.063 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 38.589 - 2.163 |
| R-factor | 0.2123 |
| Rwork | 0.210 |
| R-free | 0.25350 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3u18 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.812 |
| 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 | 2.200 |
| High resolution limit [Å] | 2.160 | 2.160 |
| Number of reflections | 28763 | 1067 |
| <I/σ(I)> | 15.7 | 2.3 |
| Completeness [%] | 95.8 | 71.1 |
| Redundancy | 5.2 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293.15 | 2.6 M AMMONIUM SULFATE, 0.1 M TRIS-HCL PH 7, 3% ISOPROPANOL, 2% DMSO |
