2OOX

Crystal structure of the adenylate sensor from AMP-activated protein kinase complexed with AMP

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Temperature [K]	100
Detector technology	CCD
Collection date	2006-06-01
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97898, 0.97919
Spacegroup name	P 21 21 21
Unit cell lengths	73.456, 97.392, 168.884
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.600
R-factor	0.20975
Rwork	0.206
R-free	0.27348
Structure solution method	MAD
RMSD bond length	0.015
RMSD bond angle	1.804
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELXS
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.700
High resolution limit [Å]	2.600	2.600
Rmerge	0.098	0.469
Number of reflections	38081
<I/σ(I)>	20.1
Completeness [%]	99.7	100
Redundancy	11.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	293	6.2-7.2% PEG6000, 10% Ethylene glycol, 0.1M HEPES, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K