8UXS
KLHDC2 ubiquitin ligase in complex with a novel small-molecule
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.1 |
| Synchrotron site | ALS |
| Beamline | 8.2.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-06-22 |
| Detector | DECTRIS EIGER2 S 9M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.381, 88.165, 88.512 |
| Unit cell angles | 90.00, 104.39, 90.00 |
Refinement procedure
| Resolution | 44.080 - 2.000 |
| R-factor | 0.1671 |
| Rwork | 0.166 |
| R-free | 0.20180 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.575 |
| Data scaling software | DIALS |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.080 | 2.071 |
| High resolution limit [Å] | 1.440 | 1.440 |
| Rmerge | 0.064 | 0.178 |
| Rmeas | 0.076 | 0.211 |
| Rpim | 0.041 | 0.113 |
| Number of reflections | 85458 | 4409 |
| <I/σ(I)> | 2967.5 | 3.2 |
| Completeness [%] | 70.0 | 99.48 |
| Redundancy | 3.1 | 3.6 |
| CC(1/2) | 0.597 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298.15 | 0.03 M MgCl2*6H2O, 0.03 M CaCl2*2H2O, 10% (w/v) PEG 20000, 20% (v/v) PEG MME, 0.1 M Tris (base)/ bicine pH 8.5 |
