4REK

Crystal structure and charge density studies of cholesterol oxidase from Brevibacterium sterolicum at 0.74 ultra-high resolution

Experimental procedure

Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.828
Spacegroup name	P 1 21 1
Unit cell lengths	51.240, 72.920, 63.010
Unit cell angles	90.00, 105.13, 90.00

Refinement procedure

Resolution	44.477 - 0.740
R-factor	0.1132
Rwork	0.113
R-free	0.12310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1n4u
RMSD bond length	0.010
RMSD bond angle	1.500
Data reduction software	d*TREK
Data scaling software	CCP4
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall
Low resolution limit [Å]	44.477
High resolution limit [Å]	0.740
Number of reflections	465329
Completeness [%]	78.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.2	290.15	The crystallization solution was composed of 9-11% poly(ethylene glycol) (PEG) MW 8000, 75mM MnSO4 and 100mM sodium cacodylate buffer., pH 5.2, VAPOR DIFFUSION, HANGING DROP, temperature 290.15K