8E8W

Crystal structure of SznF from Streptomyces achromogenes var. streptozoticus NRRL 2697 mononuclear Fe(II) structure on the HDO cofactor assembly pathway

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2021-07-10
Detector	RAYONIX MX300HE
Wavelength(s)	0.9786
Spacegroup name	P 21 21 21
Unit cell lengths	57.730, 106.368, 150.410
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.790 - 2.500
R-factor	0.249
Rwork	0.246
R-free	0.30240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6vzy
RMSD bond length	0.005
RMSD bond angle	0.763
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.540
High resolution limit [Å]	2.500	2.500
Rmerge	0.157
Number of reflections	29840	1561
<I/σ(I)>	10.2
Completeness [%]	94.7
Redundancy	5.5
CC(1/2)	0.926	0.824

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	298	16% PEG4000, 0.1 M magnesium chloride, 0.1 M Tris, pH 8.5