2ZUT

Crystal structure of Galacto-N-biose/Lacto-N-biose I phosphorylase in complex with GalNAc

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	95
Detector technology	CCD
Collection date	2007-03-11
Detector	ADSC QUANTUM 4
Wavelength(s)	1.000
Spacegroup name	P 1
Unit cell lengths	67.861, 111.658, 118.660
Unit cell angles	105.20, 90.48, 107.27

Refinement procedure

Resolution	44.810 - 1.900
R-factor	0.163
Rwork	0.161
R-free	0.20400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.368
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	1.970
High resolution limit [Å]	1.900	1.900
Rmerge	0.057	0.232
Number of reflections	243435
<I/σ(I)>	21.066	3.5
Completeness [%]	97.0	96
Redundancy	2.6	2.6

Crystallization Conditions

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