5CWB

Crystal structure of de novo designed helical repeat protein DHR4

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 21 21
Unit cell lengths	43.810, 56.230, 66.370
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.903 - 1.550
R-factor	0.1875
Rwork	0.186
R-free	0.21820
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.755
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		1.590
High resolution limit [Å]	1.550	6.930	1.550
Rmerge	0.070	0.018	1.976
Rmeas	0.076	0.020	2.126
Total number of observations	172015
Number of reflections	24187	334	1729
<I/σ(I)>	16.55	65.18	1.04
Completeness [%]	98.7	98.8	97.6
Redundancy	7.1		7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	293	0.2 M Ammonium acetate, 0.1M acetate, pH 4.6, 30% PEG 4000