7TGK

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	113
Detector technology	PIXEL
Collection date	2020-01-20
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	C 2 2 21
Unit cell lengths	126.407, 237.528, 326.829
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.950 - 2.300
R-factor	0.1831
Rwork	0.183
R-free	0.21620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	unliganded FerDesD 7TGJ
RMSD bond length	0.015
RMSD bond angle	1.246
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]	49.000	2.420
High resolution limit [Å]	2.300	2.300
Rmerge	0.102	1.400
Rpim	0.040	0.550
Number of reflections	216739	250917
<I/σ(I)>	13.3	1.3
Completeness [%]	99.9
Redundancy	13.3
CC(1/2)	0.999	0.627

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	287	0.05M BTP pH 7.0, 0.2M Ammonium sulfate 16% PEG 4000 (under oil 100%)