9JV8

Crystal structure of M. tuberculosis EccCb1-D2 domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER TURBO X-RAY SOURCE
Temperature [K]	100
Detector technology	CCD
Collection date	2020-05-04
Detector	MAR CCD 165 mm
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	37.389, 75.642, 102.524
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.050 - 2.200
R-factor	0.1819
Rwork	0.177
R-free	0.22850
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.009
Data reduction software	HKL-3000 (2.3.10)
Data scaling software	SCALEPACK (2.3.10)
Phasing software	PHASER (1.20.1-4487)
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	35.000	35.000	2.280
High resolution limit [Å]	2.200	4.740	2.200
Rmerge	0.089	0.052	0.245
Rmeas	0.092	0.054	0.255
Rpim	0.025	0.015	0.070
Number of reflections	15346	1665	1428
<I/σ(I)>	14.5
Completeness [%]	99.5	99.6	95.6
Redundancy	13.9	13.2	13.2
CC(1/2)	0.990	0.999	0.986

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	277	0.1M Sodium citrate tribasic dihydrate pH 5.6, 20% (v/v) PEG 4000 and 20% (v/v) 2-Propanol