2ZUS

Crystal structure of Galacto-N-biose/Lacto-N-biose I phosphorylase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	95
Detector technology	CCD
Collection date	2006-12-14
Detector	ADSC QUANTUM 315
Wavelength(s)	1.000
Spacegroup name	P 1
Unit cell lengths	67.764, 111.483, 118.793
Unit cell angles	105.13, 90.22, 107.78

Refinement procedure

Resolution	32.120 - 2.110
R-factor	0.173
Rwork	0.170
R-free	0.22500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.329
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHARP
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.052	0.212
Number of reflections	178361
<I/σ(I)>	15.833	3.2
Completeness [%]	97.7	95.9
Redundancy	1.9	1.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	277	Na cacodyrate, Mg(NO3)2, PEG 4000, pH 6.5, vapor diffusion, temperature 277K
1	VAPOR DIFFUSION	6.5	277	Na cacodyrate, Mg(NO3)2, PEG 4000, pH 6.5, vapor diffusion, temperature 277K