8QZI

Crystal structure of PptT-ACP from Mycobacterium tuberculosis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-02-05
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9791
Spacegroup name	P 1 21 1
Unit cell lengths	47.335, 280.843, 47.340
Unit cell angles	90.00, 92.83, 90.00

Refinement procedure

Resolution	47.280 - 2.500
R-factor	0.1978
Rwork	0.196
R-free	0.24090
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.036
Data reduction software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.17.1-3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.280	2.590
High resolution limit [Å]	2.500	2.500
Number of reflections	42194	4122
<I/σ(I)>	11.3
Completeness [%]	99.6
Redundancy	3.7
CC(1/2)	0.990	0.555

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.25	285	0.1 M Hepes 5 % isopropanol 24 % PEG4000