6B1K
Macrophage Migration Inhibitory Factor in Complex with a Naphthyridinone Inhibitor (3a)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-E |
Synchrotron site | APS |
Beamline | 24-ID-E |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-07-08 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.979180 |
Spacegroup name | I 41 2 2 |
Unit cell lengths | 116.904, 116.904, 102.188 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 82.664 - 1.170 |
R-factor | 0.1355 |
Rwork | 0.135 |
R-free | 0.15390 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3u18 |
RMSD bond length | 0.008 |
RMSD bond angle | 0.957 |
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 | 1.230 |
High resolution limit [Å] | 1.170 | 1.170 |
Number of reflections | 118139 | 16818 |
<I/σ(I)> | 19.2 | 2.1 |
Completeness [%] | 97.9 | 86.8 |
Redundancy | 11.9 | 8.1 |
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, 1.4% DMSO |