5CWH

Crystal structure of de novo designed helical repeat protein DHR14

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	2014-03-10
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.111
Spacegroup name	C 2 2 21
Unit cell lengths	40.960, 104.390, 90.230
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.130 - 1.300
R-factor	0.1619
Rwork	0.161
R-free	0.18510
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.096
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		1.330
High resolution limit [Å]	1.300	5.810	1.300
Rmerge	0.080	0.042	2.505
Rmeas	0.082	0.043	2.582
Total number of observations	964864
Number of reflections	47853	549	3495
<I/σ(I)>	19.19	67.27	1.49
Completeness [%]	99.7	88.5	99.8
Redundancy	20.2		17

Crystallization Conditions

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