3QF3

Crystal structure of EspR transcription factor from mycobacterium tuberculosis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	CCD
Collection date	2009-07-20
Detector	MARMOSAIC 225 mm CCD
Spacegroup name	P 1 21 1
Unit cell lengths	52.209, 81.702, 124.798
Unit cell angles	90.00, 95.80, 90.00

Refinement procedure

Resolution	36.920 - 2.410
R-factor	0.1868
Rwork	0.184
R-free	0.24270
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Using our 2.8A SAD solved structure of a seleno-methionine derivative crystal of EspR
RMSD bond length	0.008
RMSD bond angle	0.999
Data reduction software	XDS
Data scaling software	XDS
Refinement software	PHENIX ((phenix.refine: 1.6_289))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.920	2.560
High resolution limit [Å]	2.410	2.410
Rmerge	0.077
Number of reflections	74014
<I/σ(I)>	13.28	2.6
Completeness [%]		96.6
Redundancy	3.18	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7		20% PEG3350, 0.2 M malic acid, pH 7, VAPOR DIFFUSION, HANGING DROP