8I0M

Structure of CDK6 in complex with inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-10-14
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.97910
Spacegroup name	I 4
Unit cell lengths	100.870, 100.870, 59.480
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.450 - 2.777
R-factor	0.20665
Rwork	0.203
R-free	0.28160
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.388
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	REFMAC (7.1.010)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.450	2.871
High resolution limit [Å]	2.772	2.772
Rmerge	0.161	2.314
Rmeas	0.167	2.417
Rpim	0.045	0.690
Number of reflections	7680	739
<I/σ(I)>	15.71	1.85
Completeness [%]	99.7	98.53
Redundancy	13.6
CC(1/2)	0.999	0.565

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		293	0.2 M BIS-TRIS pH 7.0, 20% PEG 4,000