1D1M

CRYSTAL STRUCTURE OF CRO K56-[DGEVK]-F58W MUTANT

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	298
Detector technology	AREA DETECTOR
Collection date	1996-06-15
Detector	SDMS
Spacegroup name	P 21 21 21
Unit cell lengths	36.030, 35.660, 108.830
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.050
Rwork	0.185
R-free	0.29800
RMSD bond length	0.019 *
RMSD bond angle	2.600 *
Data reduction software	SDMS
Data scaling software	CCP4 ((AGROVATA)
Phasing software	AMoRE
Refinement software	TNT (5E)

Data quality characteristics

	Overall
Low resolution limit [Å]	20.000
High resolution limit [Å]	2.050
Rmerge	0.061
Total number of observations	27290 *
Number of reflections	9374
Completeness [%]	95.0
Redundancy	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	4.8 M SODIUM FORMATE, 0.5% BETA-OCTYLGLUCOSIDE, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	25 (mg/ml)
2	1	drop		200 (mM)
3	1	drop	HEPES	20 (mM)
4	1	drop	EDTA	0.1 (mM)
5	1	reservoir	sodium formate	4.8 (M)
6	1	reservoir	beta-octylglucoside	0.5 (%(w/v))