7TGM

Crystal structure of HSC-AMS bound 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	2021-03-31
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0332
Spacegroup name	C 2 2 21
Unit cell lengths	125.800, 237.400, 329.700
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.600 - 2.500
R-factor	0.1892
Rwork	0.189
R-free	0.21960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7tgk
RMSD bond length	0.007
RMSD bond angle	0.904
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]	49.600	2.560
High resolution limit [Å]	2.500	2.500
Rmerge	0.082	1.120
Rpim	0.046
Number of reflections	169125	62652
<I/σ(I)>	12.9	1.5
Completeness [%]	99.8
Redundancy	4.9	5
CC(1/2)	0.990	0.500

Crystallization Conditions

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