3CEM

Human glycogen phosphorylase (tense state) in complex with the allosteric inhibitor AVE9423

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Spacegroup name	P 31
Unit cell lengths	124.383, 124.383, 123.429
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.390 - 2.470
R-factor	0.159
Rwork	0.155
R-free	0.21500
RMSD bond length	0.020
RMSD bond angle	1.845
Data reduction software	XDS
Data scaling software	XSCALE
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall
Low resolution limit [Å]	49.390
High resolution limit [Å]	2.470
Number of reflections	76587
Completeness [%]	99.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5		7 mg/ml in 20 mM BES, 1 mM EDTA, 0.5 mM DTT, pH 6.5, 50 mM NBG, 2.5 mM AVD (AVE9423), VAPOR DIFFUSION, HANGING DROP