1GVK

Porcine pancreatic elastase acyl enzyme at 0.95 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-3
Synchrotron site	ESRF
Beamline	ID14-3
Temperature [K]	100
Detector technology	CCD
Collection date	2000-07-15
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	50.176, 57.778, 74.409
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.900 * - 0.950 *
R-factor	0.122
R-free	0.14800 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1qix
RMSD bond length	0.016
RMSD bond angle	2.142 *
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	CNS
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	26.900 *	0.970
High resolution limit [Å]	0.950 *	0.950 *
Rmerge	0.043	0.347
Total number of observations	1038838 *
Number of reflections	128641 *
<I/σ(I)>	5.9	2.1
Completeness [%]	92.7	60.9
Redundancy	2.8	1.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	5	293	used microseeding *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	PPE	50 (mg/ml)
2	1	drop	N-acetyl-Asn-Pro-Ile-CO2H	35 (mg/ml)
3	1	drop	sodium acetate	100 (mM)	pH5.0
4	1	reservoir		50 (mM)