1QNJ

THE STRUCTURE OF NATIVE PORCINE PANCREATIC ELASTASE AT ATOMIC RESOLUTION (1.1 A)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X11
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X11
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1999-03-15
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	49.910, 57.820, 74.270
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.600 - 1.100
R-factor	0.1267
R-free	0.16520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1btu
RMSD bond length	0.016
RMSD bond angle	0.033
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]	45.600	1.140
High resolution limit [Å]	1.100	1.100
Rmerge	0.045	0.350
Total number of observations	1071726 *
Number of reflections	81820
<I/σ(I)>	14.9	2.02
Completeness [%]	92.7	60.4
Redundancy	13.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	8	291	0.25 M NA2SO4 18 DEGREES CELSIUS, pH 8.00

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop		0.25 (M)
2	1	drop	protein	40 (mg/ml)