5JQ5
Crystal structure of CDK2 in complex with inhibitor ICEC0942
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-02-09 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.54187 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 53.650, 70.770, 72.270 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.560 - 1.940 |
R-factor | 0.18416 |
Rwork | 0.181 |
R-free | 0.24104 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ns9 |
RMSD bond length | 0.023 |
RMSD bond angle | 2.013 |
Data reduction software | iMOSFLM |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.560 | 2.050 |
High resolution limit [Å] | 1.940 | 1.940 |
Rmerge | 0.027 | 0.074 |
Number of reflections | 20059 | |
<I/σ(I)> | 21 | 9.2 |
Completeness [%] | 96.3 | 88.3 |
Redundancy | 3.2 | 2.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 277 | 0.1M AMMONIUM ACETATE, PH 7.8, 6% PEG 3350 |