9SIH

XFEL structure of Ribonucleotide reductase R2a Y122F mutant from E. coli,reduced form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	FREE ELECTRON LASER
Source details	SLAC LCLS BEAMLINE MFX
Synchrotron site	SLAC LCLS
Beamline	MFX
Temperature [K]	297
Detector technology	CCD
Collection date	2025-02-26
Detector	RAYONIX MX340-HS
Wavelength(s)	1.278240
Spacegroup name	P 21 21 21
Unit cell lengths	74.182, 76.446, 146.265
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.420 - 1.700
R-factor	0.1587
Rwork	0.158
R-free	0.19050
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.017
RMSD bond angle	1.437
Data reduction software	cctbx.xfel
Data scaling software	cxi.merge
Phasing software	PHENIX
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	26.420	1.740
High resolution limit [Å]	1.700	1.700
Number of reflections	92055	6482
<I/σ(I)>	6.51	0.945
Completeness [%]	100.0
Redundancy	62.97
CC(1/2)	0.990	0.280

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	5.5	297	0.1M Bis-Tris pH 5.5, PEG 3350 25%