4WSL

Crystal structure of designed cPPR-polyC protein

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	2013-10-28
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.00004
Spacegroup name	P 43 2 2
Unit cell lengths	119.300, 119.300, 55.750
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	9.965 - 3.700
R-factor	0.2613
Rwork	0.258
R-free	0.30880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4pjr
RMSD bond length	0.036
RMSD bond angle	1.383
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.1_1168))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.800
High resolution limit [Å]	3.700	3.700
Rmerge	0.093	1.381
Number of reflections	4569
<I/σ(I)>	15.78	1.81
Completeness [%]	99.6	100
Redundancy	6.1	6.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.7	291.15	28% PEG4000_Glycerol mix, MES/Imidazole pH 6.7, 0.03M calcium chloride, 0.03M magnesium chloride