1K06

Crystallographic Binding Study of 100 mM N-benzoyl-N'-beta-D-glucopyranosyl urea to glycogen phosphorylase b

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX9.6
Synchrotron site	SRS
Beamline	PX9.6
Temperature [K]	298
Detector technology	CCD
Collection date	2001-03-16
Detector	ADSC QUANTUM 4
Wavelength(s)	0.87
Spacegroup name	P 43 21 2
Unit cell lengths	128.653, 128.653, 116.750
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.840 - 1.800
R-factor	0.215 *
Rwork	0.215
R-free	0.24600
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1hlf
RMSD bond length	0.007
RMSD bond angle	1.200
Data reduction software	DENZO
Data scaling software	CCP4 ((TRUNCATE))
Phasing software	X-PLOR
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.840	1.830
High resolution limit [Å]	1.800	1.800
Rmerge	0.038 *	0.481 *
Total number of observations	668695 *
Number of reflections	88811
<I/σ(I)>	15.63	1.94
Completeness [%]	97.7	95
Redundancy	4.9	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	SMALL TUBES	6.7	287	Oikonomakos, N.G., (1985) Biochim. Biophys. Acta, 832, 248. *