7BDW

Crystal structure of mycobacterial PptAb in complex with ACP and compound 8918

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-07-26
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.978565
Spacegroup name	P 21 21 21
Unit cell lengths	50.840, 63.037, 108.566
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.130 - 2.550
R-factor	0.2163
Rwork	0.212
R-free	0.25540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6rcx
RMSD bond length	0.003
RMSD bond angle	0.544
Data reduction software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.17.1_3660: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.130	2.643
High resolution limit [Å]	2.550	2.552
Number of reflections	11769	1055
<I/σ(I)>	11.16
Completeness [%]	99.1
Redundancy	6.5
CC(1/2)	0.997	0.784

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	285	0.1 M Na Cacodylate 30 % PEG 8K 0.2 M (NH4)2SO4