5CWN

Crystal structure of de novo designed helical repeat protein DHR71

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	23.270, 82.910, 103.300
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.839 - 1.700
R-factor	0.1905
Rwork	0.190
R-free	0.20870
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.010
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		1.740
High resolution limit [Å]	1.700	7.600	1.700
Rmerge	0.079	0.030	1.643
Rmeas	0.086	0.034	1.775
Total number of observations	158634
Number of reflections	22958	308	1666
<I/σ(I)>	15.01	38.61	1.25
Completeness [%]	99.6	93.3	99.9
Redundancy	6.9		7.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9.5	293	0.1 M CHES, pH 9.5, 50% (v/v) PEG 200