1D6J

CRYSTAL STRUCTURE OF ADENOSINE 5'-PHOSPHOSULFATE (APS) KINASE FROM PENICILLIUM CHRYSOGENUM

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-1
Synchrotron site	SSRL
Beamline	BL9-1
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1999-02-08
Detector	MARRESEARCH
Spacegroup name	C 2 2 21
Unit cell lengths	78.862, 83.484, 141.951
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.490 - 2.000
R-factor	0.207
Rwork	0.207
R-free	0.24900
RMSD bond length	0.018
RMSD bond angle	22.700 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASES
Refinement software	CNS (0.9)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.130
High resolution limit [Å]	2.000	2.000
Rmerge	0.043	0.250
Total number of observations	109188 *
Number of reflections	31625
<I/σ(I)>	30.9
Completeness [%]	98.7	96.4
Redundancy	3.5	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	6	298	or batch *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	5 (mg/ml)
2	1	reservoir	Na+/K+ tartrate	0.8-1.2 (M)
3	1	reservoir	Na MES	0.1 (M)
4	1	drop	polyethylinimine	0.5 (%)