8AJQ

Crystal structure of PA2722 from Pseudomonas aeruginosa PAO1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-04-09
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	84.571, 86.238, 172.225
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.790 - 1.250
R-factor	0.1384
Rwork	0.138
R-free	0.15180
Structure solution method	SAD
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20_4459)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.790	47.790	1.270
High resolution limit [Å]	1.250	6.850	1.250
Rmerge	0.076	0.054	0.943
Rmeas	0.079	0.056	0.989
Rpim	0.022	0.015	0.295
Total number of observations	4505463	31013	178863
Number of reflections	345072	2361	16564
<I/σ(I)>	19.2	49.9	2.6
Completeness [%]	99.8	99.7	97.4
Redundancy	13.1	13.1	10.8
CC(1/2)	0.999	0.998	0.807

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.3	293	0.1 M MES pH 6.3, 14 % PEG20000