1BTU

PORCINE PANCREATIC ELASTASE COMPLEXED WITH (3S, 4R)-1-TOLUENESULPHONYL-3-ETHYL-AZETIDIN-2-ONE-4-CARBOXYLIC ACID

Experimental procedure

Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX9.6
Synchrotron site	SRS
Beamline	PX9.6
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1996-05
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	50.570, 57.930, 74.720
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.800 - 1.600
R-factor	0.192
R-free	0.22000
Structure solution method	RIGID BODY REFINEMENT
RMSD bond length	0.017
RMSD bond angle	0.023
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELXL-97
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	23.800	1.630
High resolution limit [Å]	1.600	1.600
Rmerge	0.057	0.157
Total number of observations	165584 *
Number of reflections	29200
<I/σ(I)>	17.4	8.4
Completeness [%]	98.7	95.5
Redundancy	5.67

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Microdialysis *	5		pH 5.0

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	protein	5 (%(w/v))
2	1	1	sodium acetate	0.1 (M)
3	1	1	sodium azide	0.02 (%(w/v))
4	1	2	sodium sulphate	0.1 (M)