6V04

DynU16 crystal structure, a putative protein in the dynemicin biosynthetic locus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-04-15
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.0000
Spacegroup name	P 31 2 1
Unit cell lengths	73.171, 73.171, 123.944
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.610 - 1.500
R-factor	0.1631
Rwork	0.162
R-free	0.18820
Structure solution method	SIRAS
RMSD bond length	0.005
RMSD bond angle	0.831
Data reduction software	XDS (Nov 11, 2017)
Data scaling software	XDS (Nov 11, 2017)
Phasing software	SHELX (2016/1)
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.310	44.310	1.600
High resolution limit [Å]	1.500	4.490	1.500
Rmerge	0.042	0.031	0.715
Rmeas	0.044	0.033	0.806
Number of reflections	112506	4413	13993
<I/σ(I)>	23.16	69.78	1.39
Completeness [%]	95.3	99.4	73.1
Redundancy	8.974	10.246	4.637
CC(1/2)	1.000	0.999	0.799

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	1ul:1ul, 0.1M Tris-HCl pH8.5, 0.2M MgCl2, 20% PEG 8000