1H9L

PORCINE PANCREATIC ELASTASE COMPLEXED WITH ACETYL-VAL-GLU-PRO-ILE-COOH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX9.6
Synchrotron site	SRS
Beamline	PX9.6
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1998-06-15
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	50.160, 57.840, 74.320
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.900 - 1.670
R-factor	0.159
Rwork	0.158
R-free	0.19900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1qix
RMSD bond length	0.019
RMSD bond angle	0.028
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	REFMAC
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	22.900	1.700
High resolution limit [Å]	1.670	1.670
Rmerge	0.072	0.250
Total number of observations	156137 *
Number of reflections	24944
<I/σ(I)>	15	10
Completeness [%]	95.2	96.7
Redundancy	6.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	5	17 *	CRYSTALS PREPARED FROM 25MM SODIUM SULPHATE, 25MM SODIUM ACETATE (PH 5.0), 25 MG/ML PPE AND THEN SOAKED WITH ACETYL-VAL-GLU-PRO-ILE (17 MG/ML) DISSOLVED IN SODIUM ACETATE (PH 5.0, 50MM) AND SODIUM SULPHATE (25 MM)

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	PPE	50 (mg/ml)
2	1	drop	sodium acetate	50 (mM)	pH5.0
3	1	reservoir		50 (mM)