8EIF

Crystal structure of unmodified Pseudomonas aeruginosa protein PA0709

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-01-23
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1
Spacegroup name	P 1 21 1
Unit cell lengths	60.408, 187.412, 60.421
Unit cell angles	90.00, 99.19, 90.00

Refinement procedure

Resolution	39.160 - 2.100
R-factor	0.1747
Rwork	0.171
R-free	0.20780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	unpublished
RMSD bond length	0.002
RMSD bond angle	0.565
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.160	2.140
High resolution limit [Å]	2.100	2.100
Rmerge	0.193	1.921
Rmeas	0.228	2.270
Rpim	0.120	1.195
Number of reflections	76341	31853
<I/σ(I)>	8.7	2.2
Completeness [%]	99.0	97.9
Redundancy	7	7
CC(1/2)	0.995	0.689

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	0.1 M PCB pH 5.5, 25% PEG 1500