3QHW

Structure of a pCDK2/CyclinA transition-state mimic

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2010-07-23
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97872
Spacegroup name	P 1 21 1
Unit cell lengths	71.025, 163.450, 73.390
Unit cell angles	90.00, 107.08, 90.00

Refinement procedure

Resolution	39.726 - 1.910
R-factor	0.1886
Rwork	0.188
R-free	0.21870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	UNPUBLISHED MODEL
RMSD bond length	0.010
RMSD bond angle	1.266
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.16)
Phasing software	PHASER
Refinement software	PHENIX (1.7.1_743)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	39.740	39.726	2.010
High resolution limit [Å]	1.908	6.040	1.908
Rmerge		0.014	0.014
Number of reflections	123388
<I/σ(I)>	8.6	8.8	0.5
Completeness [%]	100.0	99.6	100
Redundancy	7.6	7.5	7.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.25	293	22% w/v Poly(acrylic acid sodium salt) 5100, 20mM MgCl2, 100mM HEPES pH 8.25, VAPOR DIFFUSION, SITTING DROP, temperature 293K