1L5S

Human liver glycogen phosphorylase complexed with uric acid, 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	2000-06-28
Detector	BRANDEIS - B1.2
Wavelength(s)	0.95
Spacegroup name	P 31
Unit cell lengths	124.030, 124.030, 123.300
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	75.000 * - 2.100
R-factor	0.194
Rwork	0.194
R-free	0.23500 *
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	21.800 *
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	0.070 *	0.417 *
Total number of observations	243830 *
Number of reflections	117831 *
<I/σ(I)>	9.6	1.7
Completeness [%]	94.9	75.5
Redundancy	2	1.5

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 (%)