5EZV

X-ray crystal structure of AMP-activated protein kinase alpha-2/alpha-1 RIM chimaera (alpha-2(1-347)/alpha-1(349-401)/alpha-2(397-end) beta-1 gamma-1) co-crystallized with C2 (5-(5-hydroxyl-isoxazol-3-yl)-furan-2-phosphonic acid)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2015-02-06
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9537
Spacegroup name	P 1 21 1
Unit cell lengths	75.608, 134.112, 141.287
Unit cell angles	90.00, 93.16, 90.00

Refinement procedure

Resolution	49.300 - 2.990
R-factor	0.2254
Rwork	0.224
R-free	0.24520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4zhx
RMSD bond length	0.008
RMSD bond angle	0.980
Data reduction software	XDS
Data scaling software	Aimless (0.1.27)
Phasing software	PHASER (6.3.0)
Refinement software	BUSTER-TNT (1.10.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.300	49.300	3.080
High resolution limit [Å]	2.990	12.690	2.990
Rmerge	0.081	0.049	0.468
Rpim	0.053	0.034	0.312
Total number of observations	182062	2356	14563
Number of reflections	56584
<I/σ(I)>	10.1	20.5	2.6
Completeness [%]	99.4	98.2	98
Redundancy	3.2	3.1	3.2
CC(1/2)	0.994	0.989	0.768

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.2	277	8 % PEG 3350, 0.1 M MgCl2, 1.0 % glucose, 0.001 % cocamidopropyl betaine, 0.1 M imidazole