1P61

Structure of human dCK complexed with 2'-Deoxycytidine and ADP, P 43 21 2 space group

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	2001-03-21
Detector	MARRESEARCH
Wavelength(s)	0.9552
Spacegroup name	P 43 21 2
Unit cell lengths	80.001, 80.001, 93.946
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.200 *
R-factor	0.22733
Rwork	0.222
R-free	0.28000 *
Structure solution method	MAD
RMSD bond length	0.021
RMSD bond angle	1.885
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.300
High resolution limit [Å]	2.200	2.200
Rmerge	0.064 *	0.156 *
Total number of observations	219344 *
Number of reflections	15406 *
<I/σ(I)>	28.2	7.5
Completeness [%]	95.9 *	78.2 *

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 298K

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