9SOI

CTLH-CRA domains of Maea-Twa1 mutant (A125G, Q126R, T127del, Q128E, A130Q, M143L, E144Q, L147F, A148S, F152Y and F160V) complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-04-25
Detector	DECTRIS EIGER2 X CdTe 16M
Wavelength(s)	0.9763
Spacegroup name	P 32 2 1
Unit cell lengths	142.346, 142.346, 213.234
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.930 - 3.310
R-factor	0.2308
Rwork	0.229
R-free	0.26300
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.669
Data reduction software	XDS
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.930	3.659
High resolution limit [Å]	3.307	3.307
Rmerge	0.115	1.987
Rmeas	0.118	2.040
Rpim	0.026	0.455
Number of reflections	17940	901
<I/σ(I)>	11.1	1.8
Completeness [%]	93.4
Redundancy	19.7
CC(1/2)	0.999	0.012

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	0.1 M hepes 7.0, 1 M sodium malonate, 0.5% Jeffamine ED2001