4I59

Cyclohexylamine Oxidase from Brevibacterium oxydans IH-35A complexed with cyclohexanone

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	P 21 21 21
Unit cell lengths	86.518, 139.457, 177.206
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.780 - 2.930
R-factor	0.228
Rwork	0.228
R-free	0.25500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Structure of holoenzyme (PDB code 4I58)
RMSD bond length	0.012
RMSD bond angle	1.800
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	3.030
High resolution limit [Å]	2.930	6.310	2.930
Rmerge	0.118	0.058	0.288
Number of reflections	44529
<I/σ(I)>	10.4
Completeness [%]	95.1	91.5	95.3
Redundancy	4.1	4.2	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	298	1.6 M ammonium sulfate, 10% v/v dioxane and 0.1M MES, pH 6.5, VAPOR DIFFUSION, temperature 298K