6QWU

4'-phosphopantetheinyl transferase PptAb from Mycobacterium abscessus at pH 5.5 with Mn2+ and CoA.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-05-17
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.967700
Spacegroup name	P 21 21 21
Unit cell lengths	55.652, 61.918, 66.699
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.379 - 1.400
R-factor	0.1646
Rwork	0.164
R-free	0.18380
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]	45.380	1.450
High resolution limit [Å]	1.400	1.400
Number of reflections	45439	4151
<I/σ(I)>	13.5
Completeness [%]	98.6
Redundancy	6.7
CC(1/2)	0.998	0.648

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	5.5	285	0.1 M Bis-Tris 25 % PEG3350 0.2 M NaCl