4E1A

Phosphopantetheine adenylyltransferase from Mycobacterium tuberculosis at 1.62A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	CCD
Collection date	2011-10-09
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.8
Spacegroup name	H 3 2
Unit cell lengths	98.734, 98.734, 113.630
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	15.774 - 1.620
R-factor	0.1733
Rwork	0.171
R-free	0.21530
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.954
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine))

Data quality characteristics

	Overall
Low resolution limit [Å]	30.000
High resolution limit [Å]	1.580
Number of reflections	29273
Completeness [%]	99.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	COUNTER-DIFFUSION		273	COUNTER DIFFUSION, temperature 273K