1A0J

CRYSTAL STRUCTURE OF A NON-PSYCHROPHILIC TRYPSIN FROM A COLD-ADAPTED FISH SPECIES.

Experimental procedure

Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM1A
Synchrotron site	ESRF
Beamline	BM1A
Temperature [K]	295
Detector technology	IMAGE PLATE
Collection date	1996-08
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	65.907, 83.107, 154.787
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 1.700
R-factor	0.173
Rwork	0.173
R-free	0.21500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3PTB BOVINE TRYPSIN WITH CORRECT AMINO ACID SEQUENCE SUPERIMPOSED ONTO ANIONIC SALMON TRYPSIN 2TBS.
RMSD bond length	0.013
RMSD bond angle	26.350 *
Data reduction software	DENZO
Data scaling software	XDS
Phasing software	AMoRE
Refinement software	X-PLOR (3.8)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.000	1.790
High resolution limit [Å]	1.700	1.700
Rmerge	0.123	0.258
Total number of observations	451079 *
Number of reflections	76357
<I/σ(I)>	3.6	2.9
Completeness [%]	81.2	52.3
Redundancy	5.9	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	4.6	310 *	drop contained 1:1 mixture of protein and reservoir solution *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	15 (mg/ml)
2	1	drop	benzamidine	60 (mM)
3	1	reservoir	ammonium sulfate	1.60-1.75 (M)
4	1	reservoir	acetate	0.1 (M)