1E4O

Phosphorylase recognition and phosphorolysis of its oligosaccharide substrate: answers to a long outstanding question

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX7.2
Synchrotron site	SRS
Beamline	PX7.2
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	74.450, 105.690, 214.910
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.900
R-factor	0.245
Rwork	0.245
R-free	0.30600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.330
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	X-PLOR (3.5)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.100
High resolution limit [Å]	2.900	2.900
Rmerge	0.180
Total number of observations	74406 *
Number of reflections	38437
Completeness [%]	79.1	75.1
Redundancy	2.2	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5		CO-CRYSTALS OBTAINED FROM A SREEN OF: 26-32% 4K PEG, 0.1-0.6 M LICL, 0.1M TRIS/HCL PH8.5 + G5 (FROM 100MM STOCK)ADDED TO THE HANGING DROP (SEE PUBLICATION FOR DETAILS), pH 8.50

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG4000	26-32 (%)
2	1	reservoir		0.1-0.6 (M)
3	1	reservoir	Tris-HCl	1 (M)