3CR7

Crystal structure of N-terminal truncation of APS Kinase from Penicillium chrysogenum: Ternary structure with ADP and PAPS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL1-5
Synchrotron site	SSRL
Beamline	BL1-5
Temperature [K]	100
Detector technology	CCD
Collection date	2007-03-29
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9194
Spacegroup name	P 21 21 21
Unit cell lengths	77.580, 82.594, 139.009
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.715 - 2.500
R-factor	0.201
Rwork	0.198
R-free	0.27900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	poly alanine model of pdb entry 1M7G A chain
RMSD bond length	0.010
RMSD bond angle	1.421
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.21)
Phasing software	EPMR
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.718	2.560
High resolution limit [Å]	2.500	2.500
Rmerge	0.084	0.486
Total number of observations		8337
Number of reflections	31427
<I/σ(I)>	7.5	1.5
Completeness [%]	99.6	100
Redundancy	3.6	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	bis tris, PEG 3350, ammonium acetate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K