5CWG

Crystal structure of de novo designed helical repeat protein DHR10

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	2013-12-06
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.111
Spacegroup name	P 21 2 21
Unit cell lengths	47.590, 50.560, 72.430
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.458 - 1.200
R-factor	0.136
Rwork	0.134
R-free	0.16660
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.108
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		1.230
High resolution limit [Å]	1.200	5.370	1.200
Rmerge	0.036	0.019	0.526
Rmeas	0.040	0.021	0.644
Total number of observations	313175
Number of reflections	54627	649	3516
<I/σ(I)>	22.67	65.59	1.85
Completeness [%]	98.5	89.5	87.4
Redundancy	5.6		2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M Magnesium formate, 20% (w/v) PEG 3350