9OB6
CDK2/CyclinE bound to compound 21 with P-loop in the EE and CC conformations
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-08-27 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.11582 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 101.100, 101.100, 151.030 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 84.010 - 2.000 |
| R-factor | 0.2277 |
| Rwork | 0.227 |
| R-free | 0.25640 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.001 |
| RMSD bond angle | 0.401 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.21.2_5419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 151.030 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.079 | |
| Rmeas | 0.082 | |
| Rpim | 0.022 | |
| Number of reflections | 53625 | 3890 |
| <I/σ(I)> | 21.7 | 1.1 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 25.6 | |
| CC(1/2) | 0.999 | 0.369 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.115 M Sodium Citrate, 15% PEG 3350 |
