7EYS

Complex structure of SptF with Fe, alpha-ketoglutarate, and andiconin D

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-1A
Synchrotron site	Photon Factory
Beamline	BL-1A
Temperature [K]	283
Detector technology	PIXEL
Collection date	2019-03-29
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1.0
Spacegroup name	P 1
Unit cell lengths	49.366, 72.227, 77.606
Unit cell angles	81.58, 85.58, 70.24

Refinement procedure

Resolution	47.700 - 1.950
R-factor	0.2146
Rwork	0.213
R-free	0.26820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7eyr
RMSD bond length	0.005
RMSD bond angle	0.691
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.700	1.990
High resolution limit [Å]	1.950	1.950
Rmerge	0.085	0.403
Number of reflections	70547	4499
<I/σ(I)>	7.8	2.4
Completeness [%]	97.0
Redundancy	3.6
CC(1/2)	0.993	0.907

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		283	0.27 M magnesium chloride, 16% w/v PEG 3350, 1.5% trimethylamine N-oxide dihydrate