3QG0

Crystal Structure of Cellvibrio gilvus Cellobiose Phosphorylase Complexed with Phosphate and 1-Deoxynojirimycin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NW12A
Synchrotron site	Photon Factory
Beamline	AR-NW12A
Temperature [K]	100
Detector technology	CCD
Collection date	2007-11-16
Detector	ADSC QUANTUM 210
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	85.139, 97.883, 104.932
Unit cell angles	90.00, 102.56, 90.00

Refinement procedure

Resolution	36.370 - 2.700
R-factor	0.15422
Rwork	0.150
R-free	0.23202
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.014
RMSD bond angle	1.546
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.800
High resolution limit [Å]	2.700	2.700
Number of reflections	45165
<I/σ(I)>	12.6	3.4
Completeness [%]	99.9	99.9
Redundancy	3.8	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	1.4M sodium/potassium phosphate, 10mM glucose, 10mM 1-deoxynojirimycin, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K