1P60

Structure of human dCK complexed with 2'-Deoxycytidine and ADP, Space group C 2 2 21

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-D
Synchrotron site	APS
Beamline	14-BM-D
Temperature [K]	110
Detector technology	CCD
Collection date	2001-12-16
Detector	MARRESEARCH
Wavelength(s)	0.9000
Spacegroup name	C 2 2 21
Unit cell lengths	52.714, 132.808, 157.565
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 * - 1.960
R-factor	0.16491
Rwork	0.161
R-free	0.20300 *
Structure solution method	MAD
RMSD bond length	0.020
RMSD bond angle	1.922
Data scaling software	XDS
Phasing software	AMoRE
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.000
High resolution limit [Å]	1.960	1.960
Rmerge	0.045 *	0.291 *
Total number of observations	270973 *
Number of reflections	39237 *
<I/σ(I)>	23.7	3.3
Completeness [%]	97.4 *	67.8 *
Redundancy	6.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	20 *	0.95-1.0M citrate trisodium dihydrate, 100mM Hepes, 5mM deoxycytidine, 5mM ADP, 5mM MgCl2,5mM DTT, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298.0K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	enzyme	12 (mg/ml)
2	1	drop		5 (mM)
3	1	drop	HEPES	20 (mM)	pH7.5
4	1	drop	dithiothreitol	5 (mM)
5	1	drop	deoxycytidine	100000 (nM)
6	1	reservoir	trisodium citrate dihydrate	0.95-1.0 (M)
7	1	reservoir	HEPES	100 (mM)	pH7.5