3VZE

Crystal structure of human pancreatic secretory protein ZG16p with alpha1,3-mannobiose

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	2010-10-08
Detector	ADSC QUANTUM 210
Wavelength(s)	1.00000
Spacegroup name	P 21 21 2
Unit cell lengths	58.320, 73.195, 30.501
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.600 - 1.900
R-factor	0.18565
Rwork	0.183
R-free	0.23386
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3apa
RMSD bond length	0.008
RMSD bond angle	1.133
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.930
High resolution limit [Å]	1.900	1.900
Rmerge	0.121	0.526
Number of reflections	10860
<I/σ(I)>	14.8	2.6
Completeness [%]	99.9	99.4
Redundancy	7	6.5

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