1N4W

ATOMIC RESOLUTION STRUCTURE OF CHOLESTEROL OXIDASE @ pH 7.3 (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	2000-03-27
Detector	ADSC QUANTUM 4
Spacegroup name	P 1 21 1
Unit cell lengths	51.343, 72.959, 63.045
Unit cell angles	90.00, 105.25, 90.00

Refinement procedure

Resolution	31.300 - 0.920
Rwork	0.103
R-free	0.12200
Structure solution method	AB INITIO PHASING
Starting model (for MR)	1mxt
RMSD bond length	0.016
RMSD bond angle	0.032
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]	31.300	0.940
High resolution limit [Å]	0.920	0.920
Rmerge	0.041	0.607
Number of reflections	294009
<I/σ(I)>	13.8	1.4
Completeness [%]	94.1	66.8
Redundancy	3.2	1.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.3		PEG 8000, MANGANESE SULFATE, MES, pH 7.3