8R3N

Crystal structure of PfpI, Pseudomonas aeruginosa PAO1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	70
Detector technology	PIXEL
Collection date	2017-12-04
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	41.990, 78.710, 103.090
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.120 - 1.450
R-factor	0.2576
Rwork	0.256
R-free	0.28180
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.895
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.120	1.502
High resolution limit [Å]	1.450	1.450
Rmeas	0.081
Number of reflections	59398	2343
<I/σ(I)>	11.9	0.9
Completeness [%]	96.5	81.07
Redundancy	6.1	2.7
CC(1/2)	1.000	0.600

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		290	0.2 M calcium chloride, 0.1 M Tris buffer (pH 8.5), PEG 3350, 20% (w/v)