1UO6

PORCINE PANCREATIC ELASTASE/Xe-COMPLEX

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 5.2R
Synchrotron site	ELETTRA
Beamline	5.2R
Temperature [K]	100
Detector technology	CCD
Spacegroup name	P 21 21 21
Unit cell lengths	50.170, 58.060, 74.340
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 - 1.650
Rwork	0.174
R-free	0.20600 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1lkb
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	99.000	1.690
High resolution limit [Å]	1.650	1.650
Rmerge	0.053	0.089
Total number of observations	665506 *
Number of reflections	26987
<I/σ(I)>	46.53	30.25
Completeness [%]	99.9	100
Redundancy	14.33	7.15

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	5.1	293 *	SODIUM ACETATE, SODIUM SULFATE, pH 5.10

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	20 (mg/ml)
2	1	reservoir	sodium acetate	100 (mM)	pH5.1
3	1	reservoir		200 (mM)