7DWW

Crystal structure of the computationally designed msDPBB_sym2 protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-09-11
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	P 31 2 1
Unit cell lengths	44.864, 44.864, 147.910
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.853 - 1.802
R-factor	0.2344
Rwork	0.233
R-free	0.24680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7du6
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.910
High resolution limit [Å]	1.800	1.800
Number of reflections	16713	2581
<I/σ(I)>	12.76
Completeness [%]	99.9
Redundancy	9.45
CC(1/2)	0.999	0.763

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	100 mM CAPS pH10.5, 2M Ammonium sulfate, 200 mM Lithium sulfate