9J0J

The crystal structure of Fe/2OG-dependent oxygenase DfmD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-12-10
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.979
Spacegroup name	P 32 2 1
Unit cell lengths	110.316, 110.316, 88.835
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	32.530 - 2.850
R-factor	0.1897
Rwork	0.188
R-free	0.22540
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	0.946
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.900
High resolution limit [Å]	2.850	2.850
Rmerge	0.083	1.288
Rpim		0.291
Number of reflections	14802	1371
<I/σ(I)>	43.6	2.3
Completeness [%]	100.0	100
Redundancy	19.9
CC(1/2)	0.999	0.836

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289.15	1.0 M K/Na tartrate, 0.1 M CHES/NaOH pH 9.5, 0.2 M Li2SO4