7EYW

Fe(II)/(alpha)ketoglutarate-dependent dioxygenase SptF with terretonin C

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]	100
Detector technology	PIXEL
Collection date	2021-03-27
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1.07
Spacegroup name	P 1
Unit cell lengths	49.651, 72.281, 78.455
Unit cell angles	81.93, 84.88, 70.35

Refinement procedure

Resolution	48.240 - 2.100
R-factor	0.2073
Rwork	0.206
R-free	0.25580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7eyr
RMSD bond length	0.002
RMSD bond angle	0.567
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]	48.240	2.160
High resolution limit [Å]	2.100	2.100
Rmerge	0.065	0.632
Number of reflections	57878	9566
<I/σ(I)>	7.3	1.8
Completeness [%]	97.6	96.2
Redundancy	2.1	2.1
CC(1/2)	0.996	0.871

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		283	0.27 M magnesium chloride, 20% w/v PEG 3350, 0.2 M sodium chloride, 1.5% trimethylamine N-oxide dihydrate