6P8H

Crystal structure of CDK4 in complex with CyclinD1 and P21

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-12-15
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1
Spacegroup name	P 21 2 21
Unit cell lengths	62.620, 67.980, 185.360
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.698 - 3.190
R-factor	0.2084
Rwork	0.206
R-free	0.25750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2w96
RMSD bond length	0.002
RMSD bond angle	0.492
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.15.2_3472: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	92.680	3.410
High resolution limit [Å]	3.190	3.190
Rmerge	0.167
Rpim	0.080	0.406
Number of reflections	13821	2439
<I/σ(I)>	9.2	2.1
Completeness [%]	99.9	99.8
Redundancy	5.9	5.8
CC(1/2)	0.990	0.750

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	7	295	100mM Tris (7.0), 10% PEG 8000 200mM MgCl2