1B39

HUMAN CYCLIN-DEPENDENT KINASE 2 PHOSPHORYLATED ON THR 160

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE BW7B
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	BW7B
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	MAR scanner 345 mm plate
Spacegroup name	P 21 21 21
Unit cell lengths	53.420, 71.660, 72.520
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.100
Rwork	0.200
R-free	0.27000
Structure solution method	OTHER
Starting model (for MR)	UNPUBLISHED
RMSD bond length	0.020
RMSD bond angle	0.049
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.230
High resolution limit [Å]	2.100	2.100
Rmerge	0.120	0.380
Total number of observations	70130 *
Number of reflections	15947
<I/σ(I)>	4.1	2
Completeness [%]	96.3	97.2
Redundancy	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	7.5		STREAK SEEDING FROM UNPHOSPHORYLATED CDK2 CRYSTALS, USING PHOSPHORYLATED CDK2 PROTEIN PREEQUILIBRATED AGAINST WELL SOLUTION. PROTEIN AT 10 MG/ML IN 50MM TRIS/HCL PH7.5, 50MM NACL. WELL SOLUTION OF 12-16% PEG 3350, 0.1M TRIS/HCL PH 7.5, 50MM AMMONIUM ACETATE., streak seeding

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG4000	12-16 (%)
2	1	reservoir	Tris-HCl	0.1 (M)
3	1	reservoir	ammonium acetate	50 (mM)