5Z9J

Identification of the functions of unusual cytochrome p450-like monooxygenases involved in microbial secondary metablism

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-03-06
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0000
Spacegroup name	P 1
Unit cell lengths	56.956, 78.469, 97.680
Unit cell angles	78.27, 72.63, 69.46

Refinement procedure

Resolution	46.329 - 2.000
R-factor	0.2228
Rwork	0.222
R-free	0.26160
RMSD bond length	0.013
RMSD bond angle	1.478
Data reduction software	DENZO
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.030
High resolution limit [Å]	2.000	5.430	2.000
Rmerge	0.078	0.054	0.386
Rmeas	0.091	0.063	0.458
Rpim	0.046	0.032	0.243
Number of reflections	92892	4691	4120
<I/σ(I)>	5.6
Completeness [%]	90.1	90.9	80.1
Redundancy	3.7	3.8	3.1
CC(1/2)		0.996	0.921

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	PEG 3350, Bis-Tris hydrochloride, ammonium acetate, NDSB-256