7L3R

23S Sarcin Ricin Loop with a 3-deazapurine A2670

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-10-25
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.826561243554512
Spacegroup name	P 43
Unit cell lengths	29.537, 29.537, 76.302
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.140 - 1.010
R-factor	0.1252
Rwork	0.124
R-free	0.13890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3dvz
RMSD bond length	0.009
RMSD bond angle	1.298
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX (1.19_4092)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.080
High resolution limit [Å]	1.010	1.010
Number of reflections	66875	72259
<I/σ(I)>	19.07
Completeness [%]	99.9
Redundancy	6.8
CC(1/2)	0.999	0.809

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	3.2 M (NH4)2SO4, 50 mM K-MOPS pH 7.0, 10 mM MgCl2, 10 mM MnCl2