5M0Z

Cyclohexanone Monooxygenase from T. municipale: reduced enzyme bound to NADP+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	273.15
Detector technology	CCD
Collection date	2016-02-14
Detector	RAYONIX MX-225
Wavelength(s)	0.96863
Spacegroup name	C 2 2 21
Unit cell lengths	69.206, 114.677, 155.435
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.780 - 1.600
R-factor	0.14877
Rwork	0.148
R-free	0.17736
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5m10
RMSD bond length	0.021
RMSD bond angle	1.986
Data reduction software	XDS
Data scaling software	Aimless (0.5.21)
Phasing software	PHASER (2.6.1)
Refinement software	REFMAC (5.8.0151)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.780	1.660
High resolution limit [Å]	1.600	1.600
Rmerge	0.064	0.434
Number of reflections	76543
<I/σ(I)>	12.23	1.81
Completeness [%]	94.0	97
Redundancy	1.9	1.9
CC(1/2)	0.996	0.664

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293.15	100 mM Tris-HCl, 25 % PEG 6000