8C24

ParDE1 toxin-antitoxin complex from Mycobacterium tuberculosis (rv1960c-rv1959c)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-08-12
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9795
Spacegroup name	P 1 21 1
Unit cell lengths	44.560, 125.450, 52.260
Unit cell angles	90.00, 109.23, 90.00

Refinement procedure

Resolution	45.920 - 2.100
R-factor	0.2079
Rwork	0.206
R-free	0.23540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3kxe
RMSD bond length	0.008
RMSD bond angle	0.880
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.920	2.175
High resolution limit [Å]	2.100	2.100
Number of reflections	31537	3147
<I/σ(I)>	9.13
Completeness [%]	99.6	99.05
Redundancy	2
CC(1/2)	0.999	0.669

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	20% PEG 3350 0.2 M Sodium nitrate 0.1 M Bis-tris propane pH 7.5