3PWD

Crystal structure of maize CK2 in complex with NBC (Z1)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID13
Synchrotron site	ESRF
Beamline	ID13
Temperature [K]	100
Detector technology	CCD
Collection date	2005-02-20
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.033
Spacegroup name	C 1 2 1
Unit cell lengths	142.410, 60.960, 45.660
Unit cell angles	90.00, 100.19, 90.00

Refinement procedure

Resolution	41.295 - 2.200
R-factor	0.1718
Rwork	0.169
R-free	0.22970
Structure solution method	Rigid body
RMSD bond length	0.008
RMSD bond angle	1.125
Data reduction software	MOSFLM (3.3.16)
Data scaling software	SCALA (3.3.16)
Refinement software	PHENIX (1.6.4_486)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	70.082	41.295	2.320
High resolution limit [Å]	2.200	6.960	2.200
Rmerge		0.087	0.600
Rmeas		0.118	0.793
Rpim		0.079	0.512
Total number of observations		972	4776
Number of reflections	16400
<I/σ(I)>	4.4	9.6	1.6
Completeness [%]	83.9	74	87.4
Redundancy	2	2.1	1.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	20% PEG 4000, 0.2M sodium acetate, 0.1M TrisHCl, pH 8, vapor diffusion, sitting drop, temperature 293K