9SCZ

Crystal structure of MpTACO1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-01-28
Detector	DECTRIS EIGER R 4M
Wavelength(s)	0.9677
Spacegroup name	C 1 2 1
Unit cell lengths	91.673, 38.466, 78.143
Unit cell angles	90.00, 115.58, 90.00

Refinement procedure

Resolution	45.180 - 2.340
R-factor	0.2346
Rwork	0.232
R-free	0.28060
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.666
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	70.490	2.420
High resolution limit [Å]	2.340	2.340
Rmerge	0.157
Rmeas	0.184
Rpim	0.095
Number of reflections	10404	1010
<I/σ(I)>	7.4
Completeness [%]	97.6
Redundancy	7.07
CC(1/2)	0.993	0.721

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	0.1M MES pH 6, 30% (v/v) polyethylene glycol 200, 5% (w/v) polyethylene glycol 3350