1L0Z

THE STRUCTURE OF PORCINE PANCREATIC ELASTASE COMPLEXED WITH XENON AND BROMIDE, CRYOPROTECTED WITH DRY PARAFFIN OIL

Experimental procedure

Experimental method	SAS
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X13
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X13
Temperature [K]	100
Detector technology	CCD
Collection date	2001-10-28
Detector	MARRESEARCH
Wavelength(s)	0.8
Spacegroup name	P 21 21 21
Unit cell lengths	49.500, 57.700, 73.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.000 - 1.500
R-factor	0.166
Rwork	0.166
R-free	0.20900
Structure solution method	SAS
Starting model (for MR)	1qnj
RMSD bond length	0.009
RMSD bond angle	2.130
Data reduction software	DENZO
Data scaling software	SCALA
Phasing software	SHARP
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.000
High resolution limit [Å]	1.500	1.500 *
Rmerge	0.044	0.180 *
Total number of observations	598060 *
Number of reflections	34498
Completeness [%]	99.0	100 *
Redundancy	17.3 *	11.3 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	298	Shotton, D.M., (1968) J. Mol. Biol., 32, 155. *