1UV0

Pancreatitis-associated protein 1 from human

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LURE BEAMLINE DW21B
Synchrotron site	LURE
Beamline	DW21B
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1999-08-15
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	30.730, 49.350, 92.150
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	21.750 - 1.780
R-factor	0.188
Rwork	0.188
R-free	0.24400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1lit
RMSD bond length	0.008
RMSD bond angle	1.500
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	21.750	1.830
High resolution limit [Å]	1.780	1.780
Rmerge	0.082	0.317
Number of reflections	11726
<I/σ(I)>	6.3	2.4
Completeness [%]	84.3	74.6
Redundancy	4.3	4.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		4.5		1 MICROL PROTEIN 3.0 MG/ML, IN 10MM SODIUM ACETATE BUFFER, 0.5 MICROL MOTHER LIQUOR: 0.1M SODIUM CACODYLATE PH6.0, PEG 8000 20% (W/V), 0.2M ZINC ACETATE, 5% GLYCEROL, RESERVOIR 1ML, pH 4.50