4RJ3
CDK2 with EGFR inhibitor compound 8
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.1 |
Synchrotron site | ALS |
Beamline | 5.0.1 |
Temperature [K] | 110 |
Detector technology | CCD |
Collection date | 2012-05-16 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.977408 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 53.102, 70.923, 72.586 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.890 - 1.630 |
R-factor | 0.17729 |
Rwork | 0.174 |
R-free | 0.20955 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.217 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 43.000 |
High resolution limit [Å] | 1.630 |
Number of reflections | 34734 |
<I/σ(I)> | 38.2 |
Completeness [%] | 99.4 |
Redundancy | 4.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 292 | PEG 4000, ammonium acetate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 292K |