5UFN

Crystal structure of Burkholderia thailandensis 1,6-didemethyltoxoflavin-N1-methyltransferase with bound S-adenosylhomocysteine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-12-19
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97930
Spacegroup name	P 61
Unit cell lengths	112.261, 112.261, 78.152
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.600 - 1.390
R-factor	0.1489
Rwork	0.148
R-free	0.16790
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.005
RMSD bond angle	0.942
Refinement software	PHENIX ((1.11.1_2575: 000))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.600	1.440
High resolution limit [Å]	1.390	1.390
Rmerge	0.047	0.490
Number of reflections	112155
<I/σ(I)>	14	2.24
Completeness [%]	99.5	98.1
Redundancy	4.9	3.7
CC(1/2)		0.830

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.4	295	100 mM HEPES, pH 6.0 - 7.0, 1.0 - 2.0 M ammonium sulfate, and 1 mM S-adenosylhomocysteine