5CWK

Crystal structure of de novo designed helical repeat protein DHR53

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	2014-11-20
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.111
Spacegroup name	C 1 2 1
Unit cell lengths	127.380, 24.340, 60.440
Unit cell angles	90.00, 116.86, 90.00

Refinement procedure

Resolution	32.466 - 1.900
R-factor	0.2097
Rwork	0.208
R-free	0.23600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.644
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	0.048	0.022	1.668
Rmeas	0.057	0.027	1.967
Total number of observations	46741
Number of reflections	13327	140	949
<I/σ(I)>	13.15	36.88	0.99
Completeness [%]	98.3	75.7	99.2
Redundancy	3.5		3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	2.2	293	26% (w/v) PEG 6000, 0.1 M Sodium citrate, pH 2.2