7EYU

Fe(II)/(alpha)ketoglutarate-dependent dioxygenase SptF-N65T mutant with 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]	100
Detector technology	PIXEL
Collection date	2020-02-27
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1.0
Spacegroup name	P 1
Unit cell lengths	42.813, 50.583, 71.982
Unit cell angles	109.11, 91.29, 112.86

Refinement procedure

Resolution	27.850 - 2.050
R-factor	0.2433
Rwork	0.241
R-free	0.27800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7eyr
RMSD bond length	0.003
RMSD bond angle	0.633
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]	44.600	2.110
High resolution limit [Å]	2.050	2.050
Rmerge	0.176	0.455
Number of reflections	31258	2440
<I/σ(I)>	7.1	3.5
Completeness [%]	96.2	95.7
Redundancy	4.2	4.2
CC(1/2)	0.971	0.893

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		283	0.2 M magnesium formate dehydrate, 20% w/v PEG 3350