1BVN

PIG PANCREATIC ALPHA-AMYLASE IN COMPLEX WITH THE PROTEINACEOUS INHIBITOR TENDAMISTAT

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	275
Detector technology	FILM
Detector	KODAK
Spacegroup name	P 65 2 2
Unit cell lengths	77.700, 77.700, 359.500
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.400 - 2.500
R-factor	0.166
Rwork	0.166
R-free	0.26000
Structure solution method	MIR
RMSD bond length	0.008
RMSD bond angle	27.510 *
Data reduction software	PROTEIN
Data scaling software	PROTEIN
Phasing software	PROTEIN
Refinement software	X-PLOR (3.185)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.390	2.610
High resolution limit [Å]	2.500	2.500
Rmerge	0.060	0.352 *
Total number of observations	54641 *
Number of reflections	19789
Completeness [%]	81.3	42.4
Redundancy	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	8		PROTEIN: 12 MG/ML IN 50 MM TRIS/HCL, PH 8.0, MIXED 5:1 WITH 40% (W/V) PEG 1000; RESERVOIR: 0.18-0.20 M SODIUM PHOSPHATE, PH 8.0 HARVESTED IN: 3 M SODIUM ACETATE, PH 7.5

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	12 (mg/ml)
2	1	drop	Tris-HCl	50 (mM)
3	1	reservoir	PEG	40 (%(w/v))
4	1	reservoir	sodium potassium phosphate	0.18-0.20 (M)