4EU0

Crystal Structure of PelD 158-CT from Pseudomonas aeruginosa PAO1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Detector technology	IMAGE PLATE
Detector	MAR scanner 300 mm plate
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	58.517, 41.395, 62.912
Unit cell angles	90.00, 109.92, 90.00

Refinement procedure

Resolution	25.000 - 1.700
R-factor	0.2315
Rwork	0.230
R-free	0.26600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.212
Data scaling software	SCALEPACK
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.760
High resolution limit [Å]	1.700	3.660	1.700
Rmerge	0.060	0.041	0.308
Number of reflections	30933
<I/σ(I)>	12.3
Completeness [%]	97.6	98.6	82.5
Redundancy	6.4	6.5	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	50 mM sodium cacodylate, pH 6.5, 10 mM MgSO4, 1.3 M Li2SO4, hanging drop, temperature 298K, VAPOR DIFFUSION, HANGING DROP