3VZF

Crystal structure of human pancreatic secretory protein ZG16p with methyl alpha-D-mannopyranoside

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]	100
Detector technology	CCD
Collection date	2011-02-18
Detector	ADSC QUANTUM 210
Wavelength(s)	1.00000
Spacegroup name	P 21 21 2
Unit cell lengths	58.192, 73.045, 30.460
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.500 - 2.800
R-factor	0.22362
Rwork	0.221
R-free	0.28463
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3apa
RMSD bond length	0.006
RMSD bond angle	0.890
Data reduction software	DENZO
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.850
High resolution limit [Å]	2.800	2.800
Rmerge	0.170	0.516
Number of reflections	3500
<I/σ(I)>	10.8	4.1
Completeness [%]	99.7	100
Redundancy	6.7	6.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	293	0.09M MES(pH 6.5), 0.09M Sodium phosphate, 0.09M Potassium phosphate, 1.8M Sodium chloride, VAPOR DIFFUSION, SITTING DROP, temperature 293K