7EYT

Fe(II)/(alpha)ketoglutarate-dependent dioxygenase SptF with andilesin C and NOG

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	2019-10-26
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1.0
Spacegroup name	P 1
Unit cell lengths	50.054, 72.557, 78.826
Unit cell angles	81.74, 84.19, 70.23

Refinement procedure

Resolution	48.420 - 2.100
R-factor	0.2378
Rwork	0.236
R-free	0.28600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7eyr
RMSD bond length	0.003
RMSD bond angle	0.595
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]	48.420	2.160
High resolution limit [Å]	2.100	2.100
Rmerge	0.138	0.456
Number of reflections	56771	4484
<I/σ(I)>	5.7	2.5
Completeness [%]	94.3	95.1
Redundancy	3.3	3.6
CC(1/2)	0.986	0.906

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