1L5R

Human liver glycogen phosphorylase a complexed with riboflavin, N-Acetyl-beta-D-Glucopyranosylamine and CP-403,700

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X12C
Synchrotron site	NSLS
Beamline	X12C
Temperature [K]	100
Detector technology	CCD
Collection date	2001-02-08
Detector	BRANDEIS - B4
Wavelength(s)	0.95
Spacegroup name	P 31
Unit cell lengths	124.422, 124.422, 124.006
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	99.000 * - 2.100
R-factor	0.247
Rwork	0.247
R-free	0.28300
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	21.300 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS (1.1)
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	99.000	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.092 *	0.418 *
Total number of observations	368381 *
Number of reflections	122788 *
<I/σ(I)>	11.4	2.6
Completeness [%]	98.1	95.3
Redundancy	2.9 *	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.8 *	17 *	MES, MPD, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 290K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	25-30 (mg/ml)
2	1	drop	sodium BES	20 (mM)	pH6.8
3	1	drop	EDTA	1 (mM)
4	1	drop	dithiothreitol	0.5 (mM)
5	1	reservoir	sodium MES	0.1 (M)	pH6.0
6	1	reservoir	MPD	25-35 (%)