5M10

Crystal structure of cyclohexanone monooxygenase from Thermocrispum municipale in the oxidised state with a bound nicotinamide.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	273.15
Detector technology	PIXEL
Collection date	2015-11-15
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	0.999990
Spacegroup name	C 2 2 21
Unit cell lengths	68.840, 113.630, 155.480
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.900 - 1.220
R-factor	0.1319
Rwork	0.131
R-free	0.16504
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.032
RMSD bond angle	2.780
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	MOLREP (11.4.03)
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.930	1.260
High resolution limit [Å]	1.220	1.220
Rmerge	0.041	0.551
Number of reflections	168622
<I/σ(I)>	8.36	1.21
Completeness [%]	93.0	87
Redundancy	1.8	1.9
CC(1/2)	0.999	0.701

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293.15	100 mM Tris-HCl, 30 % PEG 4000