7UCR

Joint X-ray/neutron structure of the Sarcin-Ricin loop RNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	LIQUID ANODE
Source details	Excillum MetalJet D2 70 kV
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-02-14
Detector	Bruker PHOTON III
Wavelength(s)	1.342
Spacegroup name	P 43
Unit cell lengths	29.495, 29.495, 76.520
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	12.340 - 2.250
Rwork	0.254
R-free	0.29870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3dvz
RMSD bond length	0.011
RMSD bond angle	1.611
Data reduction software	PROTEUM PLUS
Data scaling software	PROTEUM PLUS
Phasing software	PHENIX (1.18.2_3874)
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	16.050	2.330	1.033
High resolution limit [Å]	0.998	2.250	0.998
Rmerge	0.055	0.299	0.412
Number of reflections	35326	771	3461
<I/σ(I)>	21.66
Completeness [%]	99.7
Redundancy	13.68
CC(1/2)	0.999	0.300	0.849

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	291.15	0.233 mM RNA, 1.0 M ammonium sulfate, 2 mM magnesium chloride, 2 mM manganese chloride, 16.5 mM -3-(N-morpholino)propanesulfonic acid.
1	VAPOR DIFFUSION, SITTING DROP	7	291.15	0.233 mM RNA, 1.0 M ammonium sulfate, 2 mM magnesium chloride, 2 mM manganese chloride, 16.5 mM -3-(N-morpholino)propanesulfonic acid.