8ERD
Cyclin-free CDK2 in complex with Cpd17
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-10-05 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.999 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 53.744, 72.008, 72.015 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.920 - 1.330 |
R-factor | 0.1996 |
Rwork | 0.198 |
R-free | 0.23020 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1b39 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.112 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.920 | 1.350 |
High resolution limit [Å] | 1.330 | 1.330 |
Rmerge | 0.049 | 1.640 |
Rmeas | 0.055 | 1.907 |
Rpim | 0.022 | 0.950 |
Number of reflections | 58747 | 2404 |
<I/σ(I)> | 14.2 | 0.7 |
Completeness [%] | 90.0 | |
Redundancy | 6 | |
CC(1/2) | 0.999 | 0.350 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 292 | 15-20% PEG 4K, 50mM Hepes pH 7.5 50mM Ammonium Acetate |