7BCZ

Structure of the 4'-phosphopantetheinyl transferase PcpS from Pseudomonas aeruginosa

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-06-06
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.979070
Spacegroup name	P 1
Unit cell lengths	44.359, 78.872, 81.123
Unit cell angles	85.62, 84.62, 73.86

Refinement procedure

Resolution	42.490 - 2.400
R-factor	0.2117
Rwork	0.210
R-free	0.26190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6qyf
RMSD bond length	0.004
RMSD bond angle	0.724
Data reduction software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.17.1_3660: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.490	2.486
High resolution limit [Å]	2.400	2.400
Number of reflections	39884	3949
<I/σ(I)>	9.39
Completeness [%]	97.1
Redundancy	5.3
CC(1/2)	0.994	0.784

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	285	0.1 M Na Citrate 10 % PEG4000 10% propanol