3E3A

The Structure of Rv0554 from Mycobacterium tuberculosis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-1
Synchrotron site	SSRL
Beamline	BL9-1
Temperature [K]	100
Detector technology	CCD
Collection date	2005-04-05
Detector	ADSC QUANTUM 315
Spacegroup name	P 21 21 21
Unit cell lengths	48.704, 97.890, 146.165
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.540 - 2.350
R-factor	0.179
Rwork	0.173
R-free	0.23800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.018
RMSD bond angle	1.680
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (refmac_5.4.0078)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.430
High resolution limit [Å]	2.350	2.350
Rmerge	0.114	0.748
Number of reflections	29742
<I/σ(I)>	19.7	2
Completeness [%]	99.5	96.9
Redundancy	6.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		4.92	292	0.1M Sodium acetate pH 4.92, 7.5% MPD, VAPOR DIFFUSION, temperature 292K