8RAG

Crystal structure of class Ie ribonucleotide reductase R2 subunit without Y150 modification from Gardnerella vaginalis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-07-08
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.95374
Spacegroup name	P 31 2 1
Unit cell lengths	173.520, 173.520, 157.582
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.740 - 1.900
R-factor	0.1668
Rwork	0.167
R-free	0.19440
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.742
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]	47.740	1.968
High resolution limit [Å]	1.900	1.900
Rmerge	0.170	2.239
Rmeas	0.175	2.293
Rpim	0.038	0.493
Number of reflections	214258	21312
<I/σ(I)>	12.94	0.68
Completeness [%]	100.0
Redundancy	21
CC(1/2)	0.999	0.596

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