7XBJ

Txp40, an insecticidal toxin protein from Xenorhabdus nematophila

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	RRCAT INDUS-2 BEAMLINE PX-BL21
Synchrotron site	RRCAT INDUS-2
Beamline	PX-BL21
Temperature [K]	100
Detector technology	CCD
Collection date	2020-11-04
Detector	RAYONIX MX-225
Wavelength(s)	0.9789
Spacegroup name	I 21 21 21
Unit cell lengths	94.576, 97.029, 147.953
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.860 - 2.080
R-factor	0.2191
Rwork	0.218
R-free	0.24760
Structure solution method	SAD
RMSD bond length	0.004
RMSD bond angle	0.797
Data reduction software	autoPROC (1.0.5)
Data scaling software	Aimless (0.7.4)
Phasing software	CRANK2 (2.0.281)
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	81.137	2.247
High resolution limit [Å]	2.080	2.080
Rmerge	0.065	2.014
Rmeas	0.068	2.115
Rpim	0.018	0.543
Number of reflections	30251	1514
<I/σ(I)>	24.8	1.5
Completeness [%]	85.9	60.1
Redundancy	14.6	14.6
CC(1/2)	1.000	0.673

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	6	294	2.5M Ammonium Sulphate, 0.1M Bis-Tris, pH 6.0