1LQE

CRYSTAL STRUCTURE OF TRYPSIN IN COMPLEX WITH 79.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	ENRAF-NONIUS FR571
Temperature [K]	292
Detector technology	IMAGE PLATE
Collection date	1996-12-09
Detector	MARRESEARCH
Wavelength(s)	1.54128
Spacegroup name	P 21 21 21
Unit cell lengths	63.600, 63.600, 68.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 2.200
R-factor	0.166
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	16.400 *
Data reduction software	XDS
Data scaling software	XDS
Phasing software	X-PLOR
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	60.000	2.300
High resolution limit [Å]	2.200	2.200
Rmerge	0.098 *
Total number of observations	45455 *
Number of reflections	14008
<I/σ(I)>	12.6	6
Completeness [%]	95.2	94
Redundancy	3.2	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	19 *	Ammonium sulfate, CaCl2, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 292K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	ammonium sulfate	0.6 (mM)
2	1	drop		1 (mg/ml)
3	1	drop	benzamidine	10 (mg/ml)
4	1	drop	protein	60 (mg/ml)
5	1	reservoir	ammonium sulfate	1.2-1.6 (M)
6	1	reservoir			pH5.0-7.0