7EYR

Fe(II)/(alpha)ketoglutarate-dependent dioxygenase SptF apo

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	2019-03-09
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1.0
Spacegroup name	P 1
Unit cell lengths	49.570, 72.704, 78.985
Unit cell angles	82.08, 84.95, 70.13

Refinement procedure

Resolution	46.570 - 2.120
R-factor	0.1975
Rwork	0.196
R-free	0.25130
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5zm2
RMSD bond length	0.003
RMSD bond angle	0.564
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]	48.570	2.180
High resolution limit [Å]	2.120	2.120
Rmerge	0.098	0.441
Number of reflections	56744	4456
<I/σ(I)>	10.4	3.1
Completeness [%]	97.6	93.5
Redundancy	5.4
CC(1/2)	0.996	0.927

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		283	0.27 M magnesium chloride, 21% w/v PEG 3350, 1.5% trimethylamine N-oxide dihydrate