3FZP

Crystal structure of PYK2 complexed with ATPgS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Detector technology	CCD
Collection date	2007-01-01
Detector	ADSC QUANTUM 210
Spacegroup name	P 1 21 1
Unit cell lengths	36.946, 92.663, 42.671
Unit cell angles	90.00, 92.45, 90.00

Refinement procedure

Resolution	30.000 - 2.100
R-factor	0.21227
Rwork	0.211
R-free	0.23898
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.015
RMSD bond angle	1.713
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.040	0.240
Number of reflections	15837
<I/σ(I)>	18.4	2.7
Completeness [%]	94.1	90.5
Redundancy	2.3	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	298	0.1M Citrate, 0.5-1.5M Lithium Sulfate, 0.2-0.4M Ammonium Sulfate, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K