6K27

Pyrophosphatase with PPi from Acinetobacter baumannii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-06-19
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.98
Spacegroup name	H 3
Unit cell lengths	110.294, 110.294, 302.492
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.763 - 1.860
R-factor	0.1964
Rwork	0.196
R-free	0.24550
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.846
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.763	1.890
High resolution limit [Å]	1.860	1.860
Number of reflections	114729	5740
<I/σ(I)>	8.4
Completeness [%]	99.5
Redundancy	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	malic acid