8GOH

Homotetramic Antiparallel Coiled-Coil of 23-residues LacI C-terminal tetramerization helix

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	2021-02-09
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	36.257, 50.935, 40.849
Unit cell angles	90.00, 113.84, 90.00

Refinement procedure

Resolution	37.360 - 1.100
R-factor	0.2083
Rwork	0.207
R-free	0.22760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4rzs
RMSD bond length	0.005
RMSD bond angle	0.765
Data reduction software	XDS
Phasing software	MOLREP
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.360	1.139
High resolution limit [Å]	1.100	1.100
Rmerge	0.080	1.193
Rmeas	0.088	1.307
Rpim	0.034	0.524
Number of reflections	55084	5465
<I/σ(I)>	11.01	1.32
Completeness [%]	99.8	99.24
Redundancy	6.5	6
CC(1/2)	0.999	0.727

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		278	0.1M Na/K phosphate pH6.2, 0.2M Sodium chloride, 50% PEG200