5CWC

Crystal structure of de novo designed helical repeat protein DHR5

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	2013-12-06
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.111
Spacegroup name	P 21 2 21
Unit cell lengths	47.320, 51.140, 72.860
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.858 - 1.250
R-factor	0.1424
Rwork	0.141
R-free	0.16500
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	0.969
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		1.280
High resolution limit [Å]	1.250	5.590	1.250
Rmerge	0.050	0.022	1.527
Rmeas	0.054	0.024	1.675
Total number of observations	334858
Number of reflections	47733	593	2877
<I/σ(I)>	18.21	62.49	1.17
Completeness [%]	96.0	90.1	79.6
Redundancy	7		5.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	20% (w/v) PEG 6000, 1 M Lithium chloride, 0.1 M Bis-Tris, pH 7.0
1	VAPOR DIFFUSION, SITTING DROP	7	293	20% (w/v) PEG 6000, 1 M Lithium chloride, 0.1 M Bis-Tris, pH 7.0