8SJJ

X-ray structure of the metastable SEPT14-SEPT7 heterodimeric coiled coil

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-02-25
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9795
Spacegroup name	P 1 21 1
Unit cell lengths	34.934, 50.811, 91.558
Unit cell angles	90.00, 94.36, 90.00

Refinement procedure

Resolution	91.290 - 1.781
R-factor	0.2238
Rwork	0.221
R-free	0.28630
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.850
Data reduction software	autoPROC
Data scaling software	STARANISO
Phasing software	Arcimboldo
Refinement software	BUSTER (2.10.3 (6-FEB-2020))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	91.294	1.996
High resolution limit [Å]	1.781	1.781
Rmerge	0.099	1.168
Rmeas	0.108	1.129
Rpim	0.041	0.535
Number of reflections	22355	1118
<I/σ(I)>	10.602	1.29
Completeness [%]	72.5	14.18
Redundancy	6.83
CC(1/2)	0.999	0.569

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	293	0.1 M Bis-Tris pH 5.0, 24% PEG 3350