8GOJ

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	2020-01-29
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	22.840, 41.900, 38.840
Unit cell angles	90.00, 102.91, 90.00

Refinement procedure

Resolution	37.860 - 1.380
R-factor	0.2201
Rwork	0.218
R-free	0.25840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8goh
RMSD bond length	0.007
RMSD bond angle	1.147
Data reduction software	XDS
Phasing software	MOLREP
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.860	1.429
High resolution limit [Å]	1.380	1.380
Rmerge	0.087	1.430
Rmeas	0.095	1.547
Rpim	0.036	0.585
Number of reflections	14393	1094
<I/σ(I)>	10.91	1.17
Completeness [%]	92.3	74.17
Redundancy	6.5	6.7
CC(1/2)	0.998	0.498

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	25% PEG 200, 0.10M Zinc Sulfate, 0.1M MES pH6.5