5CWP

Crystal structure of de novo designed helical repeat protein DHR79

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 43 21 2
Unit cell lengths	94.260, 94.260, 77.630
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.130 - 1.900
R-factor	0.2012
Rwork	0.200
R-free	0.22180
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.793
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		1.950
High resolution limit [Å]	1.900	8.500	1.900
Rmerge	0.105	0.031	3.607
Rmeas	0.109	0.032	3.740
Total number of observations	398338
Number of reflections	28192	382	2042
<I/σ(I)>	17.5	56.33	1.05
Completeness [%]	100.0	97	100
Redundancy	14.1		14.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	1.6 M Sodium citrate, pH 6.5