4PLS

Crystal Structures of Designed Armadillo Repeat Proteins: Implications of Construct Design and Crystallization Conditions on Overall Structure.

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	2012-05-14
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	63.870, 95.860, 177.070
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.270 - 2.350
R-factor	0.18737
Rwork	0.183
R-free	0.26685
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4plr
RMSD bond length	0.013
RMSD bond angle	1.697
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.270		2.400
High resolution limit [Å]	2.350	7.000	2.350
Rmerge	0.080	0.020	0.551
Rmeas	0.089	0.023	0.620
Total number of observations	242625
Number of reflections	45974	1900	2756
<I/σ(I)>	16	56.45	2.98
Completeness [%]	99.5	97.6	98.9
Redundancy	5.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	277	25 % PEG 2000-MME, 0.2 M calcium acetate, 0.1 M Tris