7VEP

Crystal structure and biophysical characterization of TPR domain of EccA5 from ESX-5 pathway of Mycobacterium tuberculosis H37RVR

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	2019-04-17
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	57.236, 65.645, 98.204
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.319 - 2.150
R-factor	0.1877
Rwork	0.186
R-free	0.21640
Structure solution method	SAD
Data reduction software	XDS (0.70)
Data scaling software	Aimless (7.0.072)
Phasing software	PHENIX (2.8.2)
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.140	2.200
High resolution limit [Å]	2.150	2.150
Rmerge	0.093	0.631
Rmeas	0.116	0.793
Rpim	0.067	0.474
Number of reflections	20585	1717
<I/σ(I)>	2.3	2.3
Completeness [%]	99.2	98.3
Redundancy	5.3	4.7
CC(1/2)	0.997	0.715

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	300	Lithium sulfate, sodium citrate 5.6, Ammonium sulfate, glycerol as additive