5CWO

Crystal structure of de novo designed helical repeat protein DHR76

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-01-16
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.111
Spacegroup name	P 21 21 21
Unit cell lengths	62.540, 66.300, 102.220
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.494 - 3.350
R-factor	0.2686
Rwork	0.268
R-free	0.28970
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.939
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		3.440
High resolution limit [Å]	3.350	14.980	3.350
Rmerge	0.183	0.029	1.913
Rmeas	0.197	0.033	2.061
Total number of observations	45810
Number of reflections	6514	93	470
<I/σ(I)>	10.89	40	1.17
Completeness [%]	99.8	93.9	100
Redundancy	7		7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	293	0.1 M MES, pH 5.0, 5% (w/v) PEG 6000