1FN6

CRYSTAL STRUCTURE OF PORCINE BETA TRYPSIN WITH 0.1% POLYDOCANOL

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	OTHER
Temperature [K]	293
Detector technology	IMAGE PLATE
Collection date	1998-03-16
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	77.904, 54.043, 47.238
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 1.800
R-factor	0.157 *
Rwork	0.161
R-free	0.23800 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1qqu
RMSD bond length	0.015 *
RMSD bond angle	2.500 *
Data reduction software	AUTOMAR
Data scaling software	XDS
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	26.260	1.900
High resolution limit [Å]	1.800	1.800
Rmerge	0.068	0.361 *
Total number of observations	67986 *
Number of reflections	17686	4514 *
<I/σ(I)>	14.61	1.35
Completeness [%]	92.6	88.4
Redundancy	3.84	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.7	293 *	pH 6.70, VAPOR DIFFUSION, HANGING DROP

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	15 (mg/ml)
2	1	drop	sodium acetate	0.05 (M)
3	1	drop		20 (mM)
4	1	drop	polydocanol
5	1	reservoir	ammonium sulfate	1.5 (M)
6	1	reservoir	ammonium sulfate	0.7 (M)