1N1P

ATOMIC RESOLUTION STRUCTURE OF CHOLESTEROL OXIDASE @ pH 7.4 (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	1999-08-26
Detector	ADSC
Wavelength(s)	0.979
Spacegroup name	P 1 21 1
Unit cell lengths	51.273, 72.964, 63.036
Unit cell angles	90.00, 105.18, 90.00

Refinement procedure

Resolution	49.000 - 0.950
Rwork	0.097
R-free	0.11900 *
Structure solution method	AB INITIO PHASING
Starting model (for MR)	1mxt
RMSD bond length	0.015
RMSD bond angle	0.030
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]	49.000	0.970
High resolution limit [Å]	0.950	0.950
Rmerge	0.049	0.349
Total number of observations	2567129 *
Number of reflections	277783
<I/σ(I)>	19.4	2.2
Completeness [%]	98.8	98.8
Redundancy	3.7	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	9 *	290	PEG 8000, MANGANESE SULFATE,GLYCINE, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 290K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG MW 8000	12 (%)
2	1	reservoir		75 (mM)
3	1	reservoir	glycine	100 (mM)	pH9.0