6S9N

Designed Armadillo Repeat protein Lock2 fused to target peptide KRKRKAKLSF

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	55.260, 85.500, 194.030
Unit cell angles	90.00, 96.33, 90.00

Refinement procedure

Resolution	45.610 - 2.100
R-factor	0.2253
Rwork	0.223
R-free	0.26160
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.018
RMSD bond angle	1.800
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0189)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.610	45.610	2.150
High resolution limit [Å]	2.100	9.390	2.100
Rmerge	0.213	0.054	0.998
Rmeas	0.264	0.066	1.252
Total number of observations	557469
Number of reflections	199596	2133	14371
<I/σ(I)>	4.89	21.07	0.96
Completeness [%]	96.8	93.2	94.3
Redundancy	2.793	2.911	2.375
CC(1/2)	0.972	0.994	0.507

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