7TGJ

Crystal structure of DesD, the desferrioxamine synthetase from the Streptomyces griseoflavus ferrimycin biosynthetic pathway

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	113
Detector technology	PIXEL
Collection date	2019-03-24
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0332
Spacegroup name	C 2 2 21
Unit cell lengths	125.099, 238.490, 327.889
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	81.970 - 2.850
R-factor	0.1842
Rwork	0.182
R-free	0.22110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5o7o
RMSD bond length	0.009
RMSD bond angle	1.035
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	96.000	2.900
High resolution limit [Å]	2.850	2.850
Rmerge	0.167	1.280
Rpim	0.056	0.426
Number of reflections	111788	47251
<I/σ(I)>	11.2	1.9
Completeness [%]	97.9	92.3
Redundancy	9.9	9.2
CC(1/2)	0.993	0.531

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	287	50 mM Bis Tris Propane 300 mM ammonium sulfate 16% PEG 4000