3B6D

Crystal Structure of Streptomyces Cholesterol Oxidase H447Q/E361Q mutant (1.2A)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5
Spacegroup name	P 1 21 1
Unit cell lengths	51.300, 73.140, 63.140
Unit cell angles	90.00, 105.05, 90.00

Refinement procedure

Resolution	38.030 - 1.200
R-factor	0.1321
Rwork	0.132
R-free	0.17200
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1MXT; ADP WATERS LIGANDS AND ACTIVE SITE SIDECHAINS REMOVED FROM STARTING MODEL
RMSD bond length	0.012
RMSD bond angle	0.029
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	60.970	1.220
High resolution limit [Å]	1.200	1.200
Rmerge	0.100	0.196
Number of reflections	132078
<I/σ(I)>	11.9	3.2
Completeness [%]	94.1	74.5
Redundancy	3.3	1.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.2	291	10% PEG 8000, 75mM MnSO4, 100mM CACODYLATE pH 5.2, VAPOR DIFFUSION, HANGING DROP, temperature 291K