4PLR

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	2011-08-27
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.000
Spacegroup name	I 41
Unit cell lengths	116.054, 116.054, 86.932
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.563 - 2.100
R-factor	0.1761
Rwork	0.172
R-free	0.24770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4db9
Data scaling software	SCALA (3.3.20)
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	82.062	44.563	2.210
High resolution limit [Å]	2.100	6.640	2.100
Rmerge		0.061	0.661
Rmeas	0.129
Rpim	0.051	0.027	0.288
Total number of observations	212948	6316	30917
Number of reflections	33688
<I/σ(I)>	8	16.6	2.6
Completeness [%]	99.9	97.2	100
Redundancy	6.3	5.9	6.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	277	18 % PEG 8000, 0.2 M calcium acetate, 0.1 M sodium cacodylate pH 6.5