3AMV

ALLOSTERIC INHIBITION OF GLYCOGEN PHOSPHORYLASE A BY A POTENTIAL ANTIDIABETIC DRUG

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 5.2R
Synchrotron site	ELETTRA
Beamline	5.2R
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1997-07
Detector	MAR scanner 180 mm plate
Spacegroup name	P 43 21 2
Unit cell lengths	127.200, 127.200, 115.800
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	13.000 - 2.100
Rwork	0.189
R-free	0.26000
Structure solution method	OTHER
RMSD bond length	0.008
RMSD bond angle	1.500
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	X-PLOR (3.8)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	13.000	2.140
High resolution limit [Å]	2.100	2.100
Rmerge	0.088	0.242
Total number of observations	337366 *
Number of reflections	51612
<I/σ(I)>	11.35	2.5
Completeness [%]	92.9	87.3
Redundancy	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	6.7	100 *	1 MM W1807 IN A MEDIUM CONSISTING OF 20-24 MG/ML ENZYME, 10 MM MAGNESIUM ACETATE, 3 MM DTT, 10 MM BES, 0.1 MM EDTA, AND 0.02% SODIUM AZIDE, PH 6.7 (22 DEG C).

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	Glc	50 (mM)
2	1	1	W1807	1 (mM)