6P9L

Crystal structure of Mycobacterium tuberculosis KasA in complex with JFX

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-11-17
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97946
Spacegroup name	P 31 2 1
Unit cell lengths	77.804, 77.804, 146.374
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.519 - 2.305
R-factor	0.1741
Rwork	0.171
R-free	0.20430
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5w2o
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.340
High resolution limit [Å]	2.300	6.240	2.300
Rmerge	0.088	0.065	0.571
Rmeas	0.094	0.069	0.603
Rpim	0.031	0.024	0.192
Number of reflections	23296	1290	1136
<I/σ(I)>	9.8
Completeness [%]	99.9	99.5	99.9
Redundancy	9.5	8.3	9.7
CC(1/2)	0.997	0.995	0.918

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9.5	293	200mM NaCl, 6% Isopropanol, 1mM tris(2-carboxyethyl)phosphone hydrochloride (TCEP HCl)