3S4B

Cellobiose phosphorylase from Cellulomonas uda in complex with glucose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	CCD
Collection date	2009-09-10
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.00
Spacegroup name	P 1 21 1
Unit cell lengths	85.417, 102.740, 98.305
Unit cell angles	90.00, 96.44, 90.00

Refinement procedure

Resolution	19.950 - 2.400
R-factor	0.2337
Rwork	0.231
R-free	0.28150
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.071
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.6.4_486)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.950	2.530
High resolution limit [Å]	2.400	2.400
Number of reflections	54077
Completeness [%]	81.6	81.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	298	3.4M sodium formate, 0.1M sodium acetate trihydrate, pH4.6, 20mM alpha-D-glucose 1-phosphate soaked with 5M sodium formate, 0.1M sodium acetate trihydrate, pH4.6, 50mM alpha-D-glucose 1-phosphate, 50mM glucose, VAPOR DIFFUSION, HANGING DROP, temperature 298K