1CC2

CHOLESTEROL OXIDASE FROM STREPTOMYCES HIS447GLN MUTANT

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	115
Detector technology	IMAGE PLATE
Collection date	1997-12
Detector	RIGAKU RAXIS II
Spacegroup name	P 1 21 1
Unit cell lengths	51.590, 74.050, 63.800
Unit cell angles	90.00, 105.11, 90.00

Refinement procedure

Resolution	6.000 - 2.200
R-factor	0.147 *
Rwork	0.147
R-free	0.23500
Structure solution method	OTHER
RMSD bond length	0.006
RMSD bond angle	1.300
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CCP4
Refinement software	X-PLOR (3.843)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	23.600	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.072 *	0.188
Total number of observations	43413 *
Number of reflections	22463
<I/σ(I)>	8.9	3.5
Completeness [%]	95.0	89.2
Redundancy	1.9	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7 *	17 *	CRYSTALLIZATION CONDITIONS: VAPOUR DIFFUSION USING THE HANGING DROP TECHNIQUE, PRECIPITANT CONDITIONS: 10-12% PEG 8000 100MM SODIUM CACODYLATE PH 5.2, 75MM MNSO4 PROTEIN CONCENTRATION 8.5MG/ML

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	8.5 (mg/ml)
2	1	drop	HEPES	10 (mM)
3	1	reservoir	PEG8000	10-12 (%(w/v))
4	1	reservoir	sodium cacodylate	100 (mM)
5	1	reservoir		75 (mM)