5XMG

Crystal structure of PA3488 from Pseudomonas aeruginosa

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-05-25
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9788
Spacegroup name	P 61 2 2
Unit cell lengths	66.390, 66.390, 363.830
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.722 - 2.800
R-factor	0.2175
Rwork	0.215
R-free	0.26710
Structure solution method	SAD
RMSD bond length	0.012
RMSD bond angle	1.422
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.870
High resolution limit [Å]	2.800	2.800
Rmerge	0.070	0.588
Number of reflections	22110	1661
<I/σ(I)>	24.2	3.71
Completeness [%]	100.0	100
Redundancy	11.1
CC(1/2)	0.990	0.870

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.05 M Ammonium sulfate , 0.05 M BIS-TRIS pH 6.5, 30% v/v Pentaerythritol ethoxylate (15/4 EO/OH)