11VM

EqTdi1 immunity protein mutant G152A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	100
Detector technology	CMOS
Collection date	2024-11-09
Detector	RDI CMOS_8M
Wavelength(s)	1.00
Spacegroup name	I 1 2 1
Unit cell lengths	70.775, 38.566, 79.070
Unit cell angles	90.00, 107.55, 90.00

Refinement procedure

Resolution	60.080 - 1.700
R-factor	0.1817
Rwork	0.179
R-free	0.22410
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.141
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	60.080	1.730
High resolution limit [Å]	1.700	1.700
Rmerge	0.060	0.230
Number of reflections	22560	1160
<I/σ(I)>	16.6	2.2
Completeness [%]	99.4
Redundancy	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	20% PEG 8000, 100 mM magnesium chloride, 100 mM Bis-Tris propane pH 7.0