6NCO
Fragment-based Discovery of an apoE4 Stabilizer
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-02-07 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 40.960, 52.870, 86.440 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.462 - 1.707 |
| R-factor | 0.1944 |
| Rwork | 0.193 |
| R-free | 0.22000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1gs9 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.293 |
| Data scaling software | autoPROC |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.14_3260: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.105 | 1.737 |
| High resolution limit [Å] | 1.707 | 1.707 |
| Rmerge | 0.053 | 0.469 |
| Number of reflections | 20917 | 972 |
| <I/σ(I)> | 17.6 | 2.1 |
| Completeness [%] | 99.5 | 98.1 |
| Redundancy | 5.8 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 296 | 20% w/v Polyethylene glycol monomethyl ether mesylate 5,000; 0.1M Bis-Tris buffer at pH6.5 |
