6QXQ

4'-phosphopantetheinyl transferase PptAb from Mycobacterium abscessus at pH 7 with Mn2+ and CoA.

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	2018-06-15
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.972422
Spacegroup name	P 21 21 2
Unit cell lengths	62.941, 83.423, 56.130
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.710 - 1.450
R-factor	0.1604
Rwork	0.167
R-free	0.19520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4u89
Data reduction software	TRUNCATE
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.710	1.502
High resolution limit [Å]	1.450	1.450
Number of reflections	52990	5216
<I/σ(I)>	13.52
Completeness [%]	99.7
Redundancy	5.2
CC(1/2)	0.998	0.736

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	285	0.1 M HEPES 23 % PEG 6K 0.1 M LiSO4