8QZH

Crystal structure of apo-PptT 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	2018-11-14
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.976254
Spacegroup name	P 61
Unit cell lengths	46.169, 46.169, 181.660
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.990 - 1.700
R-factor	0.2072
Rwork	0.206
R-free	0.23410
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.716
Data reduction software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	60.590	1.760
High resolution limit [Å]	1.700	1.700
Number of reflections	23986	2366
<I/σ(I)>	3.3
Completeness [%]	100.0
Redundancy	9.1
CC(1/2)	0.944	0.400

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	285	3M Mg acetate 0.1M Na acetate