6S9P

Designed Armadillo Repeat protein internal Lock2 fused to target peptide KRKAKITWKR

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	2018-01-30
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.000031
Spacegroup name	C 1 2 1
Unit cell lengths	140.680, 37.410, 127.320
Unit cell angles	90.00, 96.59, 90.00

Refinement procedure

Resolution	44.421 - 2.800
R-factor	0.221
Rwork	0.218
R-free	0.26890
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.430	44.421	2.870
High resolution limit [Å]	2.800	12.520	2.800
Rmerge	0.300	0.041	1.815
Rmeas	0.325	0.045	1.987
Number of reflections	16545	208	1166
<I/σ(I)>	7.12	30.56	1.27
Completeness [%]	98.6	96.3	94.8
Redundancy	6.662	5.692	5.918
CC(1/2)	0.991	0.998	0.556

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