1MXT

Atomic resolution structure of Cholesterol oxidase (Streptomyces sp. SA-COO)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X8C
Synchrotron site	NSLS
Beamline	X8C
Temperature [K]	100
Detector technology	CCD
Collection date	1999-04-23
Detector	ADSC QUANTUM 4
Wavelength(s)	0.979
Spacegroup name	P 1 21 1
Unit cell lengths	51.227, 72.902, 62.947
Unit cell angles	90.00, 105.10, 90.00

Refinement procedure

Resolution	28.200 * - 0.950
R-factor	0.0983
Rwork	0.110
R-free	0.13200 *
Structure solution method	AB INITIO PHASING
Starting model (for MR)	1b4v
RMSD bond length	0.015
RMSD bond angle	0.031
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELX
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.200 *	0.970
High resolution limit [Å]	0.950	0.950
Rmerge	0.051 *	0.560
Total number of observations	1089496 *
Number of reflections	266037
<I/σ(I)>	11.1	1.5
Completeness [%]	94.1 *	88 *
Redundancy	3.9	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7 *	17 *	Yue, Q.K., (1999) Biochemistry, 38, 4277. *

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)