6M13

Crystal structure of Rnase L in complex with Toceranib

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	59.450, 111.360, 263.860
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	69.020 - 2.560
R-factor	0.2335
Rwork	0.231
R-free	0.28590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4o1p
RMSD bond length	0.011
RMSD bond angle	1.520
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]	69.020	2.652
High resolution limit [Å]	2.560	2.560
Rmerge	0.015	0.341
Number of reflections	57158	5670
<I/σ(I)>	20.65
Completeness [%]	99.3
Redundancy	2
CC(1/2)	1.000	0.725

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	20% PEG4000, 100mM Tris, 150 mM (NH4)2So4, 2mM DTT, Ph7.5