9PRR

X-ray crystal structure of Streptomyces cacaoi PolF in complex with iron and L-isoleucine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-06-13
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.919689
Spacegroup name	P 1 21 1
Unit cell lengths	78.586, 143.628, 81.447
Unit cell angles	90.00, 109.78, 90.00

Refinement procedure

Resolution	34.160 - 2.060
R-factor	0.1974
Rwork	0.196
R-free	0.23460
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.556
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.21.1.5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.160	2.700
High resolution limit [Å]	2.060	2.060
Number of reflections	51376	5703
<I/σ(I)>	7.6
Completeness [%]	91.7
Redundancy	6.81
CC(1/2)	0.973	0.670

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.5 M Lithium Chloride, 0.1 M Tris PH 7.6, 15% (w/v) PEG 6000