5CWM

Crystal structure of de novo designed helical repeat protein DHR64

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 65
Unit cell lengths	98.280, 98.280, 48.570
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.140 - 2.900
R-factor	0.2175
Rwork	0.216
R-free	0.24690
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.419
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		2.980
High resolution limit [Å]	2.900	12.970	2.900
Rmerge	0.152	0.032	2.138
Rmeas	0.159	0.034	2.239
Total number of observations	67571
Number of reflections	6086	81	448
<I/σ(I)>	14.38	56.3	1.34
Completeness [%]	100.0	98.8	100
Redundancy	11.1		11.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	293	0.1 M Sodium acetate, pH 5.0, 10% (v/v) MPD