6B2C
Macrophage Migration Inhibitory Factor in Complex with a Naphthyridinone Inhibitor (4b)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-08-10 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97920 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 97.425, 97.425, 105.624 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 65.922 - 2.000 |
| R-factor | 0.1929 |
| Rwork | 0.191 |
| R-free | 0.22160 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3u18 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.762 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 200.000 | 2.120 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 38918 | 5897 |
| <I/σ(I)> | 9 | 2 |
| Completeness [%] | 98.1 | 93.1 |
| Redundancy | 4 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293.15 | 2.1 M AMMONIUM SULFATE, 0.1 M TRIS-HCL PH 7.5, 3% ISOPROPANOL, 2% DMSO |
