7BET

Structure of Ribonucleotide reductase R2 from Escherichia coli collected by femtosecond serial crystallography on a COC membrane

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	FREE ELECTRON LASER
Source details	SwissFEL ARAMIS BEAMLINE ESB
Synchrotron site	SwissFEL ARAMIS
Beamline	ESB
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-03-20
Detector	PSI JUNGFRAU 16M
Wavelength(s)	1.359
Spacegroup name	P 61 2 2
Unit cell lengths	91.600, 91.600, 207.200
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.910 - 2.300
R-factor	0.2074
Rwork	0.205
R-free	0.24510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1mxr
RMSD bond length	0.003
RMSD bond angle	0.510
Data reduction software	CrystFEL (0.7 / 0.8)
Data scaling software	CrystFEL (0.7 / 0.8)
Phasing software	PHASER (1.18.2_3874)
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.910	2.330
High resolution limit [Å]	2.290	2.290
Number of reflections	23626	1196
<I/σ(I)>	6.65	1.27
Completeness [%]	100.0
Redundancy	175
CC(1/2)	0.994	0.353

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	294	34-37 % PAA 2100, 100 mM HEPES 7.0, 250-450 mM NaCl, 200 mM ammonium sulfate [and] 26% PAA 2100, 100 mM HEPES 7.0, 150 NaCl, 100 Malonate