7DU6

Crystal structure of the rationally designed mkDPBB_sym2 protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NW12A
Synchrotron site	Photon Factory
Beamline	AR-NW12A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-11-29
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	1
Spacegroup name	H 3
Unit cell lengths	70.891, 70.891, 64.045
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.319 - 1.600
R-factor	0.1954
Rwork	0.194
R-free	0.20800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7dg7
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	1.700
High resolution limit [Å]	1.600	1.600
Number of reflections	15809	2522
<I/σ(I)>	32.34
Completeness [%]	99.9
Redundancy	10
CC(1/2)	1.000	0.883

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9.5	293	100mM CHES pH 9.5, 1M sodium citrate tribasic