7RWF
Crystal structure of CDK2 in complex with TW8672
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 173 |
Detector technology | CCD |
Collection date | 2018-10-02 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.54178 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 50.798, 72.237, 71.436 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.550 - 1.500 |
R-factor | 0.1925 |
Rwork | 0.192 |
R-free | 0.20930 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4kd1 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.530 |
High resolution limit [Å] | 1.500 | 4.070 | 1.500 |
Rmerge | 0.100 | 0.052 | 0.361 |
Rmeas | 0.110 | 0.057 | 0.464 |
Rpim | 0.045 | 0.022 | 0.288 |
Total number of observations | 174799 | ||
Number of reflections | 42853 | 2342 | 2075 |
<I/σ(I)> | 19.4 | ||
Completeness [%] | 99.9 | 100 | 98.9 |
Redundancy | 4.1 | 6.7 | 2.4 |
CC(1/2) | 0.997 | 0.787 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 4.5mg/mL, 15% Jeffamine ED-2001, 0.1M HEPES pH7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |