4W97

Structure of ketosteroid transcriptional regulator KstR2 of Mycobacterium tuberculosis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2013-09-17
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	72.485, 90.476, 49.798
Unit cell angles	90.00, 129.68, 90.00

Refinement procedure

Resolution	24.850 - 1.600
R-factor	0.162
Rwork	0.160
R-free	0.19900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ibd
RMSD bond length	0.022
RMSD bond angle	2.142
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	MrBUMP
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	1.630
High resolution limit [Å]	1.600	1.600
Rmerge	0.032
Number of reflections	32686
<I/σ(I)>	48.68
Completeness [%]	100.0
Redundancy	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	298	0.1 M bis-Tris, pH 5.5 and 25% (w/v) PEG3350