1C1M

PORCINE ELASTASE UNDER XENON PRESSURE (8 BAR)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LURE BEAMLINE DW32
Synchrotron site	LURE
Beamline	DW32
Temperature [K]	277
Detector technology	IMAGE PLATE
Collection date	1995-07-14
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	52.190, 58.220, 75.770
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	17.700 - 2.200
R-factor	0.183 *
R-free	0.20100
RMSD bond length	0.020
RMSD bond angle	0.040
Data reduction software	MOSFLM
Data scaling software	SCALA
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	17.700	2.300
High resolution limit [Å]	2.200	2.200
Rmerge	0.051	0.146
Number of reflections	44217
<I/σ(I)>	11.4
Completeness [%]	93.9	64
Redundancy	4.1	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	5 *	20 *	Shotton, D.M., (1968) J.Mol.Biol., 32, 155. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	solution of elastase	2 (%)
2	1	1	sodium acetate	0.01 (M)
3	1	1	sodium sulfate	0.02 (M)