6KET

Flavin-utilizing Monooxygenase (OX) Domain of Hybrid Polyketide/Non-Ribosomal Peptide Synthetase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-07-12
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9793
Spacegroup name	P 21 21 2
Unit cell lengths	95.610, 103.554, 77.225
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.290 - 1.600
R-factor	0.2207
Rwork	0.220
R-free	0.23880
Structure solution method	SAD
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.13-2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	23.290	1.630
High resolution limit [Å]	1.600	1.600
Rmeas	0.161	0.528
Rpim	0.045	0.143
Number of reflections	101260	5285
<I/σ(I)>	32.4	3.86
Completeness [%]	99.5	99.9
Redundancy	6.9	13.6
CC(1/2)		0.943

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	312	0.1 M HEPES, pH 8.5, 0.2 M MgCl2, 20% (v/v) PEG 3350