2WUD

Crystal structure of S114A mutant of HsaD from Mycobacterium tuberculosis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR
Temperature [K]	100
Detector technology	CCD
Collection date	2008-03-04
Detector	BRUKER SMART 6000
Spacegroup name	F 2 2 2
Unit cell lengths	112.254, 118.765, 182.592
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.800 - 2.100
Rwork	0.192
R-free	0.23900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2vf2
RMSD bond length	0.009
RMSD bond angle	0.746
Data reduction software	SAINT
Data scaling software	SADABS
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	59.800	2.200
High resolution limit [Å]	2.100	2.100
Rmerge	0.090	0.320
Number of reflections	35484
<I/σ(I)>	11.7	3.8
Completeness [%]	99.5	99.2
Redundancy	4.2	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7		200MM KSCN, 24% PEG 3350, 100MM BIS-TRIS PROPANE, pH 7.0