9H8L

Crystal Structure of Polyphosphate kinase 2-II (PPK2-II) from Lysinibacillus fusiformis bound to TMP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-10-05
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.8731
Spacegroup name	P 62 2 2
Unit cell lengths	159.596, 159.596, 67.433
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	69.110 - 2.100
R-factor	0.1931
Rwork	0.192
R-free	0.20820
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.704
Data reduction software	autoPROC
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	138.210	2.160
High resolution limit [Å]	2.100	2.100
Rmerge	0.123	2.471
Rmeas	0.125	2.501
Rpim	0.020	0.385
Total number of observations	1138655	101646
Number of reflections	29017	2424
<I/σ(I)>	24.8	2.4
Completeness [%]	96.6
Redundancy	39.2	41.9
CC(1/2)	0.999	0.763

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	1.5 M ammonium sulfate, 0.1 M sodium acetate pH 4.6; Crystals have been soaked with TMP (final conc. of 0.75 M) for 24h.