7T6H

E. coli dihydroorotate dehydrogenase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-04-17
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.03384
Spacegroup name	C 2 2 21
Unit cell lengths	104.525, 169.495, 129.984
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.700 - 2.420
R-factor	0.2017
Rwork	0.200
R-free	0.23540
Structure solution method	SIR
RMSD bond length	0.009
RMSD bond angle	1.136
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.700	2.506
High resolution limit [Å]	2.420	2.420
Rmerge	0.158	1.633
Rmeas	0.170
Rpim	0.061	0.623
Number of reflections	43993	4336
<I/σ(I)>	8.06
Completeness [%]	99.2	99.18
Redundancy	7.6	7.7
CC(1/2)	0.994	0.500

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.1	293	sodium malonate, PEG 3350