5CWJ

Crystal structure of de novo designed helical repeat protein DHR49

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	I 41
Unit cell lengths	80.890, 80.890, 46.710
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.450 - 1.700
R-factor	0.2021
Rwork	0.200
R-free	0.23810
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.556
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	0.059	0.038	1.393
Rmeas	0.064	0.041	1.507
Total number of observations	121178
Number of reflections	16718	178	1244
<I/σ(I)>	16	39.83	1.37
Completeness [%]	99.8	86	99.8
Redundancy	7.2		6.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M di-Potassium hydrogen phosphate, 20% (w/v) PEG 3350