4I58

Cyclohexylamine Oxidase from Brevibacterium oxydans IH-35A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X8C
Synchrotron site	NSLS
Beamline	X8C
Temperature [K]	93
Detector technology	CCD
Detector	ADSC QUANTUM 4r
Wavelength(s)	1.100
Spacegroup name	C 2 2 21
Unit cell lengths	217.715, 234.588, 90.047
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.800 - 3.000
R-factor	0.237
Rwork	0.237
R-free	0.25100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1gos
RMSD bond length	0.008
RMSD bond angle	1.500
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	CNS (1.3)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.110
High resolution limit [Å]	3.000	6.460	3.000
Rmerge	0.143	0.083	0.403
Number of reflections	44399
<I/σ(I)>	8
Completeness [%]	95.8	99.3	92.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	298	30% PEG 8000, 0.2 M sodium acetate trihydrate, 0.1 M sodium cacodylate, pH 6.5, VAPOR DIFFUSION, temperature 298K