8H4R
The Crystal Structure of CDK3 and CyclinE1 Complex with Dinaciclib from Biortus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08ID-1 |
| Synchrotron site | CLSI |
| Beamline | 08ID-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-08-05 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.95372 |
| Spacegroup name | P 63 |
| Unit cell lengths | 155.027, 155.027, 76.788 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 42.371 - 2.750 |
| Rwork | 0.161 |
| R-free | 0.22340 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.129 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0352) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.750 | 2.900 |
| High resolution limit [Å] | 2.750 | 2.750 |
| Number of reflections | 27244 | 3956 |
| <I/σ(I)> | 7.3 | 2.1 |
| Completeness [%] | 99.1 | 99.1 |
| Redundancy | 4 | 4.2 |
| CC(1/2) | 0.976 | 0.577 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 1.6M MgSO4, 0.1M MES pH 6.60 |
