7JJE

Sarcin-ricin loop with guanosine dithiophosphate residue.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2018-04-10
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97857
Spacegroup name	P 43
Unit cell lengths	29.581, 29.581, 76.653
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.600 - 1.250
R-factor	0.1122
Rwork	0.110
R-free	0.14780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB ID: 3S7C
RMSD bond length	0.011
RMSD bond angle	1.745
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.290
High resolution limit [Å]	1.250	1.250
Rmerge	0.065	0.510
Rpim	0.028	0.239
Number of reflections	18152	1812
<I/σ(I)>	40.06	2.76
Completeness [%]	99.5	99.3
Redundancy	6	5.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	Crystallization set-ups were made by mixing 4 uL of 350 uM RNA solution [1 mM Na 2 EDTA (pH 8.0) and 10 mM Tris-HCl (pH 8.0)] with 2 uL of a crystallization buffer composed of 3.0 M ammonium sulfate, 10 mM magnesium chloride, 10 mM manganese chloride, and 50 mM potassium 3-(N-morpholino) propanesulfonic acid (MOPS), pH 7.0 at 18 C.