6M12

Crystal Structure of Rnase L in complex with SU11652

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	105
Detector technology	CCD
Collection date	2018-09-29
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9792
Spacegroup name	P 21 21 21
Unit cell lengths	58.710, 110.380, 262.590
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	57.300 - 2.400
R-factor	0.2323
Rwork	0.231
R-free	0.26580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4o1p
RMSD bond length	0.013
RMSD bond angle	1.655
Data reduction software	XDS
Data scaling software	xia2
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.300	2.486
High resolution limit [Å]	2.400	2.400
Rmerge	0.018	0.297
Number of reflections	67474	3336
<I/σ(I)>	15.3
Completeness [%]	99.4
Redundancy	2
CC(1/2)	1.000	0.891

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	20% PEG4000, 100 mM Tris, 150 mM (NH4)2SO4, 2mM DTT, pH 7.5