1L7X

Human liver glycogen phosphorylase b complexed with caffeine, N-acetyl-beta-D-glucopyranosylamine, and CP-403,700

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2001-06-14
Detector	ADSC QUANTUM 4
Wavelength(s)	1.1
Spacegroup name	P 31
Unit cell lengths	124.072, 124.072, 122.849
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	35.000 * - 2.300
R-factor	0.206
Rwork	0.206
R-free	0.25300 *
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.300 *
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]	35.000	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.089 *	0.413 *
Total number of observations	261069 *
Number of reflections	92608 *
<I/σ(I)>	11.8	2.66
Completeness [%]	99.2	97.3
Redundancy	2.8	1.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.8 *	17.0 *	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	15 (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	36-40 (%)