2ET2

Crystal structure of an Asn to Ala mutant of Winged Bean Chymotrypsin Inhibitor protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2005-03-20
Detector	MARRESEARCH
Wavelength(s)	1.54
Spacegroup name	P 61 2 2
Unit cell lengths	60.393, 60.393, 212.180
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.930 - 2.100
R-factor	0.227
Rwork	0.227
R-free	0.27500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.700
Data reduction software	DENZO
Data scaling software	CCP4 ((SCALA))
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall
Low resolution limit [Å]	19.930
High resolution limit [Å]	2.100
Number of reflections	13870
Completeness [%]	97.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	25.5% PEG 8K, 0.17 M Ammonium Sulphate, 15% glycerol, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K