2FFR

Crystallographic studies on N-azido-beta-D-glucopyranosylamine, an inhibitor of glycogen phosphorylase: comparison with N-acetyl-beta-D-glucopyranosylamine

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	2004-06-18
Detector	ADSC QUANTUM 4
Wavelength(s)	0.87
Spacegroup name	P 43 21 2
Unit cell lengths	128.626, 128.626, 116.163
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.480 - 2.030
R-factor	0.184
Rwork	0.184
R-free	0.19900
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1ww2
RMSD bond length	0.006
RMSD bond angle	1.200
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.480	2.060
High resolution limit [Å]	2.030	2.030
Number of reflections	62829
<I/σ(I)>	19.8	4.9
Completeness [%]	99.1	98.6
Redundancy	7.4	7.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	SMALL TUBES	6.7	289	10 mM Bes buffer, 0.1 mM EDTA, 0.02% NaN3, 3 mM DTT, pH 6.7, SMALL TUBES, temperature 289K