9KS7

Crystal structure of T. rubripes Mincle with glycerol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	95
Detector technology	PIXEL
Collection date	2024-02-12
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9800
Spacegroup name	P 1 21 1
Unit cell lengths	51.531, 72.371, 88.646
Unit cell angles	90.00, 94.43, 90.00

Refinement procedure

Resolution	44.190 - 1.700
R-factor	0.1745
Rwork	0.173
R-free	0.19650
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.073
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.21_5207)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.990	1.730
High resolution limit [Å]	1.700	1.700
Rmerge	0.060	0.322
Rpim	0.038	0.227
Number of reflections	71262	3757
<I/σ(I)>	11	3
Completeness [%]	99.7	99.5
Redundancy	3.4	2.9
CC(1/2)	0.997	0.928

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	0.1M tris (pH8.5), 0.2M sodium chloride, 25% (w/v) polyethylene glycol (PEG) 3350