4QVH

Crystal structure of the essential Mycobacterium tuberculosis phosphopantetheinyl transferase PptT, solved as a fusion protein with maltose binding protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	77
Detector technology	CCD
Collection date	2013-12-01
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9537
Spacegroup name	P 21 21 21
Unit cell lengths	77.699, 126.029, 143.960
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	94.830 - 1.750
R-factor	0.15629
Rwork	0.154
R-free	0.19052
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.019
RMSD bond angle	1.922
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0071)

Data quality characteristics

	Overall
Low resolution limit [Å]	94.830
High resolution limit [Å]	1.750
Rmerge	0.132
Number of reflections	141763
<I/σ(I)>	10.5
Completeness [%]	99.4
Redundancy	7.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	1.6M Na citrate, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K