7TGL

Crystal structure of AMP+PPi 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	2020-12-05
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	C 2 2 21
Unit cell lengths	126.501, 236.745, 330.810
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.460 - 2.890
R-factor	0.1903
Rwork	0.189
R-free	0.23540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7tgj
RMSD bond length	0.009
RMSD bond angle	1.104
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]	39.500	2.940
High resolution limit [Å]	2.890	2.890
Rmerge	0.133	1.500
Rpim	0.060	0.710
Number of reflections	109861	29609
<I/σ(I)>	7.9	1
Completeness [%]	99.4
Redundancy	6.3
CC(1/2)	0.996	0.600

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	287	0.05M Na PO4 pH 7.0, 0.2M Ammonium sulfate, 16% PEG 4000 (under oil 100%)