3RRS

Crystal structure analysis of cellobiose phosphorylase from Cellulomonas uda

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	CCD
Collection date	2008-06-15
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.98345
Spacegroup name	P 1 21 1
Unit cell lengths	85.690, 103.800, 98.500
Unit cell angles	90.00, 96.51, 90.00

Refinement procedure

Resolution	19.751 - 1.700
R-factor	0.1855
Rwork	0.185
R-free	0.20860
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016
RMSD bond angle	1.516
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	PHENIX (1.6.4_486)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.751	1.740
High resolution limit [Å]	1.700	1.700
Number of reflections	181274
Completeness [%]	96.5	95.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	4M Na Formate, 20mM alpha-glucose-!-phosphate, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 298K