7DVC

Crystal structure of the computationally designed reDPBB_sym1 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 43 21 2
Unit cell lengths	98.151, 98.151, 177.324
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.298 - 1.705
R-factor	0.1658
Rwork	0.166
R-free	0.17710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Computationally Designed Mode
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	1.810
High resolution limit [Å]	1.700	1.700
Number of reflections	94555	14747
<I/σ(I)>	33
Completeness [%]	99.6
Redundancy	28
CC(1/2)	1.000	0.960

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	100mM Sodium acetate pH3.8, 2M NaCl, 400 mM Lithium sulfate