9XWQ

Phosphopantetheine adenylyltransferase loop-deletion mutant 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	2024-05-22
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.00003
Spacegroup name	P 21 21 21
Unit cell lengths	74.380, 113.940, 115.390
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.180 - 2.560
R-factor	0.2225
Rwork	0.220
R-free	0.27930
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	AlphaFold
RMSD bond length	0.009
RMSD bond angle	1.036
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.200	2.650
High resolution limit [Å]	2.560	2.560
Number of reflections	32130	3123
<I/σ(I)>	19.74
Completeness [%]	99.5
Redundancy	12.95
CC(1/2)	0.999	0.729

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	269	2.2 M sodium chloride and 0.1 M Tris-HCl