4XXG

Structure of protonated Cholesterol Oxidase from Streptomyces SA-COO

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2014-06-10
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.82472
Spacegroup name	P 1 21 1
Unit cell lengths	51.299, 72.761, 63.030
Unit cell angles	90.00, 105.13, 90.00

Refinement procedure

Resolution	34.278 - 0.850
R-factor	0.1138
Rwork	0.113
R-free	0.12390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1mxt
RMSD bond length	0.009
RMSD bond angle	1.529
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	60.846	44.515	0.900
High resolution limit [Å]	0.850	2.690	0.850
Rmerge		0.095	0.977
Rmeas	0.127
Rpim	0.028	0.019	0.362
Total number of observations	5617181	332162	457672
Number of reflections	390495
<I/σ(I)>	16.2	55.4	2.5
Completeness [%]	100.0	100	100
Redundancy	14.4	26.4	8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	PEG 8K, MnSO4, sodium cacodylate