6P9M

Crystal structure of Mycobacterium tuberculosis KasA in complex with O6J

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	2018-07-21
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97946
Spacegroup name	P 31 2 1
Unit cell lengths	77.713, 77.713, 146.441
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	33.651 - 2.256
R-factor	0.1996
Rwork	0.197
R-free	0.23150
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	2.290
High resolution limit [Å]	2.250	6.100	2.250
Rmerge	0.048	0.031	0.698
Rmeas	0.050	0.032	0.734
Rpim	0.016	0.011	0.225
Number of reflections	24575	1361	1203
<I/σ(I)>	7.1
Completeness [%]	99.2	99.1	99.2
Redundancy	9.9	8.9	10.3
CC(1/2)	0.999	0.999	0.938

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 HCl (TCEP HCl)