8SP6
COMPLEX STRUCTURE OF CDYL2 WITH AN ANTAGONIST
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 | 2021-11-26 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 45.905, 88.576, 113.237 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.750 - 1.450 |
| R-factor | 0.21558 |
| Rwork | 0.214 |
| R-free | 0.23637 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4hae |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.334 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.480 |
| High resolution limit [Å] | 1.450 | 3.940 | 1.450 |
| Rmerge | 0.061 | 0.034 | 0.787 |
| Rmeas | 0.065 | 0.036 | 0.854 |
| Rpim | 0.021 | 0.012 | 0.323 |
| Total number of observations | 728017 | ||
| Number of reflections | 80579 | 4406 | 3743 |
| <I/σ(I)> | 8.2 | ||
| Completeness [%] | 97.6 | 99 | 92.1 |
| Redundancy | 9 | 8.7 | 6.7 |
| CC(1/2) | 0.998 | 0.998 | 0.760 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 291 | 25.0% PEG3350, 0.2M NH4OAc, 0.1M Bis-Tris, pH 6.5 |
