6K4E

SiaA-PP2C domain of Pseudomonas aeruginosa

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	80
Detector technology	CCD
Collection date	2019-02-24
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9764
Spacegroup name	P 21 21 21
Unit cell lengths	51.170, 110.480, 111.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.810 - 2.094
R-factor	0.213
Rwork	0.212
R-free	0.24100
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	1.060
Data reduction software	XDS
Data scaling software	XDS
Phasing software	AutoSol
Refinement software	BUSTER (2.10.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.810	2.169
High resolution limit [Å]	2.094	2.094
Rmerge	0.160	1.432
Rpim	0.076	0.663
Number of reflections	37739	3471
<I/σ(I)>	7.2
Completeness [%]	99.2
Redundancy	5.5
CC(1/2)	0.993	0.461

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	Morpheus A11 from Molecular Dimensions