8QZJ

Crystal structure of PptT-ADP from Mycobacterium tuberculosis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-07-18
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979540
Spacegroup name	P 2 21 21
Unit cell lengths	65.860, 68.792, 210.063
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.970 - 2.000
R-factor	0.216
Rwork	0.219
R-free	0.26770
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.696
Data reduction software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.970	2.071
High resolution limit [Å]	2.000	2.000
Number of reflections	64995	6436
<I/σ(I)>	7
Completeness [%]	97.0
Redundancy	3.8
CC(1/2)	0.995	0.410

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	285	0.1 M HEPES 20 %w/v PEG 4K 10 %v/v 2-Propanol