5CWL

Crystal structure of de novo designed helical repeat protein DHR54

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	55.250, 69.100, 82.630
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.929 - 1.500
R-factor	0.1805
Rwork	0.179
R-free	0.20910
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.698
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		1.540
High resolution limit [Å]	1.500	6.710	1.500
Rmerge	0.056	0.031	1.802
Rmeas	0.061	0.035	1.946
Total number of observations	360741
Number of reflections	51178	532	3720
<I/σ(I)>	15.08	40.53	1.03
Completeness [%]	99.6	78.8	99.9
Redundancy	7		7.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.2	293	0.2 M Sodium chloride, 0.1 M Na/K phosphate, pH 6.2, 50% (v/v) PEG 200