1D4Z

CRYSTAL STRUCTURE OF CHEY-95IV, A HYPERACTIVE CHEY MUTANT

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1999-07-11
Detector	RIGAKU RAXIS IIC
Spacegroup name	P 21 21 21
Unit cell lengths	45.023, 46.849, 53.583
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.900
R-factor	0.197
Rwork	0.197
R-free	0.22700
RMSD bond length	0.010
RMSD bond angle	1.400
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.930
High resolution limit [Å]	1.900	1.900
Rmerge	0.045	0.369
Total number of observations	102441 *
Number of reflections	9425
<I/σ(I)>	44
Completeness [%]	99.5	98
Redundancy	11.1	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.8	4 *	used to seeding *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	ammonium sulfate	0.17 (M)
2	1	reservoir	sodium acetate	0.09 (M)
3	1	reservoir	PEG4000	23 (%)
4	1	drop	protein	22 (mg/ml)