2WGF

Crystal structure of Mycobacterium tuberculosis C171Q KasA variant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector	RIGAKU
Spacegroup name	P 31
Unit cell lengths	151.505, 151.505, 147.839
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	33.710 - 2.150
R-factor	0.168
Rwork	0.166
R-free	0.21100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2wgd
RMSD bond length	0.005
RMSD bond angle	0.917
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]	33.710	2.170
High resolution limit [Å]	2.150	2.150
Rmerge	0.080	0.480
Number of reflections	335101
<I/σ(I)>	9.64	1.6
Completeness [%]	97.9	96.2
Redundancy	1.7	1.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				PEG3350, POTASSIUM FORMATE