1AVF

ACTIVATION INTERMEDIATE 2 OF HUMAN GASTRICSIN FROM HUMAN STOMACH

Experimental procedure

Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG
Synchrotron site	EMBL/DESY, HAMBURG
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1996-09
Detector	MARRESEARCH
Spacegroup name	C 1 2 1
Unit cell lengths	156.260, 50.410, 125.180
Unit cell angles	90.00, 117.62, 90.00

Refinement procedure

Resolution	20.000 - 2.360
R-factor	0.227
Rwork	0.227
R-free	0.28200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1htr
RMSD bond length	0.011
RMSD bond angle	26.700 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	2.400
High resolution limit [Å]	2.360	2.360
Rmerge	0.066	0.045
Number of reflections	34523
<I/σ(I)>	9.2	3
Completeness [%]	95.5	80.8
Redundancy	4.3	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.8		PROTEIN WAS CRYSTALLIZED IN 4M NA FORMATE, 100 MM BIS-TRIS-PROPANE, PH 7.8.

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	sodium formate	4 (M)
2	1	reservoir	Bis-Tris propane	100 (mM)