6S9M

Designed Armadillo Repeat protein Lock2 fused to target peptide KRKRKAKITW

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	2017-05-28
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.000041
Spacegroup name	P 1 21 1
Unit cell lengths	54.853, 85.474, 193.970
Unit cell angles	90.00, 96.32, 90.00

Refinement procedure

Resolution	48.200 - 2.000
R-factor	0.1788
Rwork	0.177
R-free	0.21260
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.021
RMSD bond angle	1.948
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0189)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.200	48.200	2.050
High resolution limit [Å]	2.000	8.940	2.000
Rmerge	0.112	0.024	0.871
Rmeas	0.133	0.028	1.038
Total number of observations	793257
Number of reflections	228033	2591	16882
<I/σ(I)>	10.55	40.68	1.72
Completeness [%]	96.3	97.9	96
Redundancy	3.479	3.676	3.423
CC(1/2)	0.996	0.999	0.626

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		277.15	22.5 % PEG smear medium, 0.1 M CaCl2, 0.1 M MgCl2,0.1 M Pipes pH 7