1QQU

CRYSTAL STRUCTURE OF PORCINE BETA TRYPSIN WITH BOUND ACETATE ION

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Temperature [K]	293
Detector technology	IMAGE PLATE
Collection date	1997-01-13
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	78.000, 53.900, 47.260
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 1.630
R-factor	0.193
Rwork	0.193
R-free	0.25500
Structure solution method	MOLECULAR REPLCEMENT
Starting model (for MR)	1aks
RMSD bond length	0.010 *
RMSD bond angle	2.130 *
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]	23.620	1.700
High resolution limit [Å]	1.630	1.630
Rmerge	0.088	0.400
Number of reflections	21149
<I/σ(I)>	19.96	2.77
Completeness [%]	83.2	80.6
Redundancy	3.83	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	6.7		drop consists of equal volume of protein and precipitant solutions *

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	ammonium sulfate	0.7 (M)	precipitant
5	1	reservoir	ammonium sulfate	1.5 (M)