7DVF

Crystal structure of the computationally designed reDPBB_sym2 protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B2
Synchrotron site	SPring-8
Beamline	BL26B2
Temperature [K]	100
Detector technology	CCD
Collection date	2020-04-08
Detector	RAYONIX MX225-HS
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	26.280, 33.536, 79.184
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	21.896 - 1.209
R-factor	0.1573
Rwork	0.154
R-free	0.19530
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	1.280
High resolution limit [Å]	1.200	1.210
Number of reflections	21779	2768
<I/σ(I)>	29.03
Completeness [%]	98.6
Redundancy	12.1
CC(1/2)	0.999	0.995

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	100mM Sodium acetate pH6.2, 35% MPD, 20% PEG1500