5CXG

Crystal structure of Mycobacterium tuberculosis KstR in complex with PEG

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	2014-07-30
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9537
Spacegroup name	I 1 2 1
Unit cell lengths	126.030, 38.380, 154.718
Unit cell angles	90.00, 111.69, 90.00

Refinement procedure

Resolution	37.409 - 2.100
R-factor	0.2122
Rwork	0.210
R-free	0.25810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3mnl
RMSD bond length	0.012
RMSD bond angle	0.655
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((dev_2006: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.410	2.160
High resolution limit [Å]	2.100	2.100
Rmerge		0.707
Number of reflections	40309
<I/σ(I)>	4.6	1.4
Completeness [%]	98.5	94.6
Redundancy	3.6	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	8% PEG 3350, 25% PEG 400, 0.1 M magnesium chloride, 0.1 M Tris-HCl pH 8.5