6ZZN

Crystal structure of the cubic catalytic core of the Mycobacterium tuberculosis branched-chain alphaketoacid acyltransferase component (E2b).

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-05-08
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.966
Spacegroup name	F 4 3 2
Unit cell lengths	214.073, 214.073, 214.073
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.110 - 1.500
R-factor	0.1899
Rwork	0.190
R-free	0.19340
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3l60
RMSD bond length	0.008
RMSD bond angle	0.930
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.112	1.526
High resolution limit [Å]	1.500	1.500
Rpim	0.023	0.391
Number of reflections	67274	3308
<I/σ(I)>	15.2
Completeness [%]	100.0
Redundancy	17.2
CC(1/2)	0.999	0.748

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	0.1 M imidazole pH 6.5, 4 M ammonium acetate