4ETZ

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	70.320, 41.310, 110.850
Unit cell angles	90.00, 95.45, 90.00

Refinement procedure

Resolution	25.000 - 2.050
R-factor	0.2328
Rwork	0.231
R-free	0.27740
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.510
Data scaling software	XSCALE
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]			2.150
High resolution limit [Å]	2.050	50.000	2.050
Rmerge	0.060		0.897
Number of reflections	40304		5315
<I/σ(I)>	15.68		2.31
Completeness [%]	99.7		99.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	hanging drop	8.5	298	100 mM Tris, pH 8.5, 200 mM Li2SO4, and 1.26 M (NH4)2SO4, hanging drop, temperature 298K