5CWF

Crystal structure of de novo designed helical repeat protein DHR8

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 21 2
Unit cell lengths	75.690, 76.360, 133.140
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.380 - 1.800
R-factor	0.1949
Rwork	0.194
R-free	0.22040
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.018
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		1.850
High resolution limit [Å]	1.800	8.050	1.800
Rmerge	0.089	0.027	1.848
Rmeas	0.096	0.030	1.992
Total number of observations	512567
Number of reflections	72203	910	5260
<I/σ(I)>	12.11	34.85	1.07
Completeness [%]	99.9	97	100
Redundancy	7.1		7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	0.19 M Calcium chloride, 0.095 M HEPES, pH 7.5, 26.6% (v/v) PEG 400, 5% (v/v) Glycerol