9IGQ

Crystal structure of PPK2 class III from Erysipelotrichaceae bacterium in complex with AppCH2p and polyphosphate

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-09-15
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.976
Spacegroup name	P 21 21 21
Unit cell lengths	77.888, 110.734, 152.585
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.900 - 1.700
Rwork	0.167
R-free	0.19690
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	2.211
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0430 (refmacat 0.4.88))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.900	1.800
High resolution limit [Å]	1.700	1.700
Rmeas	0.193	2.150
Rpim	0.053	0.593
Number of reflections	145127	23262
<I/σ(I)>	10.76	1.51
Completeness [%]	98.4	99.8
Redundancy	13.7	12.5
CC(1/2)	0.998	0.635

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	285	MPD 20%, sodium acetate 0.1 M, sodium chloride 0.2 M