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