6S9L

Designed Armadillo Repeat protein Lock1 bound to (KR)4KLSF target

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-03-08
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.00000
Spacegroup name	P 21 21 21
Unit cell lengths	59.350, 80.260, 122.720
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.750 - 2.100
R-factor	0.2086
Rwork	0.207
R-free	0.23630
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.750	48.746	2.150
High resolution limit [Å]	2.100	9.390	2.100
Rmerge	0.355	0.067	2.380
Rmeas	0.383	0.072	2.560
Number of reflections	66103	745	4882
<I/σ(I)>	4.98	23.21	0.88
Completeness [%]	100.0	99.6	100
Redundancy	7.148	7.329	7.328
CC(1/2)	0.982	0.997	0.314

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		277.15	0.1M HEPES/NaOH pH 8 66% MPD