9XWD

Phosphopantetheine adenylyltransferase (PPAT) from psychrophilic methanotroph Methylocapsa palsarum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	147
Detector technology	PIXEL
Collection date	2024-04-04
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.97942
Spacegroup name	P 21 21 21
Unit cell lengths	77.160, 115.910, 123.790
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.720 - 2.200
R-factor	0.2517
Rwork	0.250
R-free	0.28800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	AlphaFold
RMSD bond length	0.010
RMSD bond angle	1.238
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.900	2.260
High resolution limit [Å]	2.110	2.110
Rmerge	0.103
Number of reflections	57019	5622
<I/σ(I)>	16.09
Completeness [%]	99.9
Redundancy	13.36
CC(1/2)	0.990	0.924

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.4	268	0.2 M Na2HPO4/KH2PO4 (pH 6.4) and 2.9 M sodium chloride