6QXR

4'-phosphopantetheinyl transferase PptAb from Mycobacterium abscessus at pH 8.5 with Mn2+ and CoA.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-09-13
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.072270
Spacegroup name	P 21 21 21
Unit cell lengths	55.361, 60.589, 66.365
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.750 - 1.200
R-factor	0.1604
Rwork	0.160
R-free	0.17850
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]	44.750	44.750
High resolution limit [Å]	1.200	1.200
Number of reflections	68697	6755
<I/σ(I)>	13.1
Completeness [%]	97.6
Redundancy	3.2
CC(1/2)	0.999	0.724

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	285	0.1 M TRIS 25 % PEG 4K 0.2 M CaCl2