6P9K

Crystal structure of Mycobacterium tuberculosis KasA in complex with O6G

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL14-1
Synchrotron site	SSRL
Beamline	BL14-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-12-15
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.88557
Spacegroup name	P 31 2 1
Unit cell lengths	77.505, 77.505, 145.167
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.252 - 1.703
R-factor	0.1451
Rwork	0.144
R-free	0.16930
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	1.730
High resolution limit [Å]	1.700	4.610	1.700
Rmerge	0.064	0.046	0.546
Rmeas	0.068	0.049	0.575
Rpim	0.022	0.016	0.179
Number of reflections	56051	3035	2764
<I/σ(I)>	7.1
Completeness [%]	100.0	99.8	100
Redundancy	9.9	9.3	10.2
CC(1/2)	0.999	0.999	0.908

Crystallization Conditions

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