1AM5

THE CRYSTAL STRUCTURE AND PROPOSED AMINO ACID SEQUENCE OF A PEPSIN FROM ATLANTIC COD (GADUS MORHUA)

Experimental procedure

Source details	BRUKER NONIUS
Temperature [K]	291
Detector technology	DIFFRACTOMETER
Collection date	1995-10
Detector	ENRAF-NONIUS FAST
Spacegroup name	P 21 21 21
Unit cell lengths	35.980, 75.400, 108.100
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 2.160
R-factor	0.208 *
Rwork	0.208
R-free	0.22400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5pep
RMSD bond length	0.020
RMSD bond angle	0.071
Data reduction software	CCP4
Data scaling software	CCP4
Phasing software	X-PLOR
Refinement software	PROLSQ

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.280
High resolution limit [Å]	2.160	2.160
Rmerge	0.066 *	0.221 *
Total number of observations	37108 *
Number of reflections	13687	948 *
<I/σ(I)>	10.8	3.5
Completeness [%]	83.7	41.4
Redundancy	2.7	1.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	5.4	277 *	7.5 % 2-PROPANOL, 100 MM SODIUM ACETATE PH 5.4

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	drop	2-propanol	3.75 (%)
3	1	drop	sodium acetate	50 (mM)
4	1	reservoir	2-propanol	7.5 (%)
5	1	reservoir	2-propanol	100 (mM)