8GOI

23-residues Heterotetramic Antiparallel Coiled-Coil Derived From LacI

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL45XU
Synchrotron site	SPring-8
Beamline	BL45XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-11-05
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	40.967, 42.973, 85.923
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.960 - 1.540
R-factor	0.2281
Rwork	0.225
R-free	0.28100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	D_1300031768
RMSD bond length	0.007
RMSD bond angle	0.891
Data reduction software	XDS
Phasing software	MOLREP
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.960	1.595
High resolution limit [Å]	1.540	1.540
Rmerge	0.244	3.089
Rmeas	0.251	3.186
Rpim	0.060	0.772
Number of reflections	22984	2233
<I/σ(I)>	13.96	1.28
Completeness [%]	99.4
Redundancy	18
CC(1/2)	0.998	0.598

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	0.1 M Sodium acetate pH 5.5, 0.2 M Potassium bromide, 8% PEG20000, 8% PEG MME 500