8RAH

Crystal structure of class Ie ribonucleotide reductase R2 subunit with post-translational modification of Y150 into a DOPA from Gardnerella vaginalis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX IV BEAMLINE BioMAX
Synchrotron site	MAX IV
Beamline	BioMAX
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-11-21
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97622
Spacegroup name	P 31 2 1
Unit cell lengths	173.710, 173.710, 157.890
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.680 - 1.900
R-factor	0.1712
Rwork	0.171
R-free	0.18920
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.758
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.680	1.968
High resolution limit [Å]	1.900	1.900
Rmerge	0.132	4.584
Rmeas	0.136	4.761
Rpim	0.033	1.275
Number of reflections	215066	21342
<I/σ(I)>	13.2	0.4
Completeness [%]	99.6	96.6
Redundancy	16.9	13.7
CC(1/2)	0.999	0.271

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	Morpheus G4 condition (0.1 M Carboxylic acids, 0.1 M Buffer System 1 pH 6.5, 37.5% v/v Precipitant Mix 4) + 4% tert-butanol