5F27

Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with compound 2 at 1.68A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2010-12-17
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9765
Spacegroup name	P 41 21 2
Unit cell lengths	120.170, 120.170, 33.630
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.487 - 1.684
R-factor	0.2004
Rwork	0.199
R-free	0.22760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1t56
RMSD bond length	0.006
RMSD bond angle	0.842
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.15)
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	84.973	42.487	1.780
High resolution limit [Å]	1.684	5.330	1.680
Rmerge		0.055	0.286
Rmeas	0.081
Rpim	0.028	0.023	0.102
Total number of observations	238221	4979	32598
Number of reflections	27668
<I/σ(I)>	18.3	23.4	7
Completeness [%]	97.3	74.1	97.2
Redundancy	8.6	6.5	8.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	Ammonium sulphate, Glycerol, MES