6KI7

Pyrophosphatase mutant K30R 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	2019-06-19
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97
Spacegroup name	H 3 2
Unit cell lengths	113.049, 113.049, 551.802
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.960 - 2.750
R-factor	0.2934
Rwork	0.292
R-free	0.32440
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.700
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.960	2.880
High resolution limit [Å]	2.750	2.750
Number of reflections	35879	4703
<I/σ(I)>	7.6
Completeness [%]	99.6
Redundancy	9.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		297	salt