1QIX

Porcine pancreatic elastase complexed with human beta-casomorphin-7

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	290
Detector technology	IMAGE PLATE
Collection date	1995-11-15
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	51.282, 58.240, 75.437
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.500 - 1.900
Rwork	0.172
R-free	0.21900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3est
RMSD bond length	0.014
RMSD bond angle	0.031
Data reduction software	MOSFLM (V. 6.0)
Data scaling software	SCALA
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.500	2.000
High resolution limit [Å]	1.900	1.900
Rmerge	0.077	0.285
Number of reflections	18368
<I/σ(I)>	19.48	4.56
Completeness [%]	99.9	99.1
Redundancy	4.1	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	5	17 *	drop solution was mixed with an equal volume of reservoir solution *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	sodium acetate	0.04 (mM)
2	1	drop	PPE	50 (mg/ml)
3	1	drop	BCM7	50 (mg/ml)
4	1	reservoir	ammonium sulfate	50 (mM)