4ZLI

Cellobionic acid phosphorylase - 3-O-beta-D-glucopyranosyl-alpha-D-glucopyranuronic acid complex

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]	100
Detector technology	CCD
Collection date	2013-11-29
Detector	ADSC QUANTUM 270
Wavelength(s)	0.9732
Spacegroup name	P 31 2 1
Unit cell lengths	107.058, 107.058, 185.767
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.500 - 1.800
R-factor	0.15638
Rwork	0.155
R-free	0.18801
Structure solution method	SAD
RMSD bond length	0.027
RMSD bond angle	2.227
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	REFMAC (5.8.0107)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.830
High resolution limit [Å]	1.800	1.800
Rmerge		0.549
Number of reflections	114626
<I/σ(I)>	24.6	4.1
Completeness [%]	99.5	100
Redundancy	7.3	7.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.1 M sodium citrate (pH 5.6-6.0), 0.1 M Li2SO4, 0.6 M (NH3)2SO4, and 5% (v/v) glycerol