1MMJ

Porcine pancreatic elastase complexed with a potent peptidyl inhibitor, FR136706

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	1999-11-11
Detector	RIGAKU RAXIS IIC
Wavelength(s)	0.7107
Spacegroup name	P 21 21 21
Unit cell lengths	51.290, 58.310, 75.520
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.200
R-factor	0.215
Rwork	0.215
R-free	0.24100
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.039
RMSD bond angle	5.100
Phasing software	AMoRE
Refinement software	X-PLOR (98.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.350
High resolution limit [Å]	2.200	2.200
Rmerge	0.082 *	0.151 *
Number of reflections	15865
Completeness [%]	94.6	90.9
Redundancy	3.1 *	1.5 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	5	2 *	Sawyer, L., (1978) J. Mol. Biol., 118, 137 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	sodium sulfate	1 (M)
2	1	1	protein	20 (mg/ml)
3	1	1	sodium acetate	10 (mM)