7QDI

Structure of octameric left-handed 310-helix bundle: D-310HD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-07-05
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9204
Spacegroup name	P 21 2 21
Unit cell lengths	33.238, 44.976, 194.192
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.590 - 2.340
R-factor	0.191
Rwork	0.189
R-free	0.23940
Structure solution method	SAD
RMSD bond length	0.013
RMSD bond angle	1.835
Data reduction software	XDS
Data scaling software	xia2
Phasing software	CRANK2
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.590	2.425
High resolution limit [Å]	2.340	2.340
Rmerge	0.114	1.062
Rmeas	0.120
Rpim	0.036	0.327
Number of reflections	12818	1056
<I/σ(I)>	11.97	1.98
Completeness [%]	97.1	83.68
Redundancy	10.9	11.3
CC(1/2)	0.999	0.824

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	293	0.1M (Sodium malonate dibasic monohydrate, Imidazole, Boric acid), 25% w/v PEG 1500 at pH 6.0