8I8I

Crystal structure of Phosphopantetheine adenylyltransferase from Klebsiella pneumoniae at 2.59 A resolution

Replaces:  7WGJ

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-11-17
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.87
Spacegroup name	P 41 21 2
Unit cell lengths	72.819, 72.819, 200.365
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.270 - 2.590
Rwork	0.208
R-free	0.25490
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.179
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0403)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.270	2.670
High resolution limit [Å]	2.590	2.590
Number of reflections	17572	632
<I/σ(I)>	3.21
Completeness [%]	99.7
Redundancy	4
CC(1/2)	0.998	0.880

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	0.1M HEPES pH 7.5, 20% PEG 10000