5MEM

A potent fluorescent inhibitor of glycogen phosphorylase as a catalytic site probe.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	298
Detector technology	PIXEL
Collection date	2013-04-26
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.23953
Spacegroup name	P 43 21 2
Unit cell lengths	128.363, 128.363, 116.512
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	86.270 - 1.780
R-factor	0.17249
Rwork	0.171
R-free	0.19518
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.968
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	86.300	1.880
High resolution limit [Å]	1.780	1.780
Rmerge	0.049	0.527
Number of reflections	92031
<I/σ(I)>	20.6	4.1
Completeness [%]	98.9	97.7
Redundancy	6.6	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	6.8	289	N,N-bis(2-hydroxyethyl)-2-aminoethanesulfonic acid, EDTA, DTT, IMP