2WGG

Crystal Structure of Mycobacterium tuberculosis C171Q KasA variant with bound TLM

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	CCD
Detector	MARMOSAIC 225 mm CCD
Spacegroup name	P 31
Unit cell lengths	151.276, 151.276, 147.960
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.160 - 2.000
R-factor	0.139
Rwork	0.137
R-free	0.17900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2wgd
RMSD bond length	0.011
RMSD bond angle	1.532
Data reduction software	MOSFLM
Data scaling software	TRUNCATE
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.180	2.110
High resolution limit [Å]	2.000	2.000
Rmerge	0.070	0.350
Number of reflections	996668
<I/σ(I)>	14.35	3.8
Completeness [%]	100.0	100
Redundancy	3.89	3.85

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				PEG3350, POTASSIUM FORMATE