7DVH

Crystal structure of the computationally designed reDPBB_sym4 protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL32XU
Synchrotron site	SPring-8
Beamline	BL32XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-06-11
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1
Spacegroup name	P 1 2 1
Unit cell lengths	64.909, 30.467, 93.422
Unit cell angles	90.00, 101.59, 90.00

Refinement procedure

Resolution	47.905 - 1.698
R-factor	0.1823
Rwork	0.181
R-free	0.20180
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	1.800
High resolution limit [Å]	1.698	1.698
Number of reflections	40180	6345
<I/σ(I)>	20.25
Completeness [%]	99.6
Redundancy	6.59
CC(1/2)	0.990	0.937

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	200mM Sodium citrate tribasic, 20% PEG 3350