5UA1

Mycobacterium tuberculosis KstR in complex with a 18-bp DNA operator

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2015-11-20
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9537
Spacegroup name	P 21 21 21
Unit cell lengths	61.423, 79.280, 116.162
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.853 - 2.900
R-factor	0.2312
Rwork	0.229
R-free	0.26760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5cxg
RMSD bond length	0.003
RMSD bond angle	0.519
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((dev_2614: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.560	3.000
High resolution limit [Å]	2.900	2.900
Rmerge	0.155	1.045
Number of reflections	24284
<I/σ(I)>	9.3	1.9
Completeness [%]	100.0	100
Redundancy	3.9	3.9
CC(1/2)	0.993	0.470

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	291	15% PEG 3350, 9% MPD, 0.2 M Li2SO4, 0.1 M imidazole-HCl