6KI8

Pyrophosphatase mutant K149R 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	P 41 21 2
Unit cell lengths	116.755, 116.755, 109.704
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.987 - 1.790
R-factor	0.1592
Rwork	0.159
R-free	0.18230
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.852
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.990	1.830
High resolution limit [Å]	1.790	1.790
Number of reflections	71750	4208
<I/σ(I)>	29.2
Completeness [%]	99.9
Redundancy	11.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	salt