7TGN

Crystal structure of DesD, the desferrioxamine synthetase from the Streptomyces violaceus salmycin biosynthetic pathway

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	113
Detector technology	PIXEL
Collection date	2020-06-20
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	1.03317
Spacegroup name	P 43 21 2
Unit cell lengths	108.530, 108.530, 517.750
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.470 - 2.300
R-factor	0.1966
Rwork	0.196
R-free	0.22970
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	0.990
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.470	2.360
High resolution limit [Å]	2.300	2.300
Rmerge	0.119
Rpim	0.032	0.519
Number of reflections	138685	10146
<I/σ(I)>	21.2	1.6
Completeness [%]	100.0	100
Redundancy	28
CC(1/2)	1.000	0.650

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	287	90-100 mM Potassium citrate 25% PEG 8000 50 mM MES