1K41

Crystal structure of KSI Y57S mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	MACSCIENCE
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1997-07-18
Detector	MACSCIENCE
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	88.889, 73.135, 51.156
Unit cell angles	90.00, 89.85, 90.00

Refinement procedure

Resolution	8.000 - 2.200
R-factor	0.235
Rwork	0.235
R-free	0.31900 *
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.083
RMSD bond angle	3.172
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.400
High resolution limit [Å]	2.200	2.200
Rmerge	0.070 *
Number of reflections	15486
Completeness [%]	94.9	82

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	4.6	22 *	Sodium Acetate, Ammonium acetate, pH 4.6, EVAPORATION, temperature 295K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	ammonium acetate	1.2 (M)
2	1	reservoir	sodium acetate	0.1 (M)	pH4.6