2VF2

X-ray crystal structure of HsaD from Mycobacterium tuberculosis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	CCD
Collection date	2007-08-02
Detector	ADSC CCD
Spacegroup name	I 21 21 21
Unit cell lengths	82.360, 82.460, 194.670
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.400 - 2.350
Rwork	0.212
R-free	0.23300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB ENTRIES 1C4X AND 2OG1
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.400	2.480
High resolution limit [Å]	2.350	2.350
Rmerge	0.080	0.500
Number of reflections	24657
<I/σ(I)>	7.9	1.5
Completeness [%]	96.7	93.6
Redundancy	3.4	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		9.5		30 % (W/V) PEG 3000, 0.1 M CHES PH 9.5