5Z9I

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	2016-04-14
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97791
Spacegroup name	P 21 21 21
Unit cell lengths	57.987, 72.492, 98.829
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.282 - 2.199
R-factor	0.1877
Rwork	0.183
R-free	0.23360
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.471
Data reduction software	DENZO
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.282	45.282	2.330
High resolution limit [Å]	2.200	6.540	2.200
Rmerge	0.065	0.028	0.440
Rmeas	0.077	0.034	0.526
Total number of observations	139630
Number of reflections	40569	1532	6440
<I/σ(I)>	13.17	37.34	2.88
Completeness [%]	99.1	98.4	97.1
Redundancy	3.442	3.436	3.214
CC(1/2)	0.998	0.998	0.826

Crystallization Conditions

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