9MRI

X-ray crystal structure of Streptomyces cacaoi PolF bound to Zn(II)

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	2024-07-14
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9201
Spacegroup name	P 21 21 21
Unit cell lengths	86.586, 142.849, 161.130
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.706 - 2.316
R-factor	0.2118
Rwork	0.211
R-free	0.24480
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.717
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.21.1_5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.706	2.356
High resolution limit [Å]	2.316	2.316
Number of reflections	87492	4290
<I/σ(I)>	7.1
Completeness [%]	100.0
Redundancy	7.9
CC(1/2)	0.996	0.362

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	24.5% polyethylene glycol 4000, 0.2 M (NH4)2SO4, and 0.1 M Tri-sodium citrate, pH 6.3