8ERM

Crystal structure of FliC D2/D3 domains from Pseudomonas aeruginosa PAO1

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	2018-05-29
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	P 1 21 1
Unit cell lengths	53.486, 36.492, 87.452
Unit cell angles	90.00, 97.30, 90.00

Refinement procedure

Resolution	31.670 - 1.475
R-factor	0.17707
Rwork	0.176
R-free	0.20200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	low resolution SeMet protein
RMSD bond length	0.017
RMSD bond angle	1.890
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.490	1.500
High resolution limit [Å]	1.475	1.475
Rmerge	0.106	1.008
Rpim	0.040	0.461
Number of reflections	55941	2567
<I/σ(I)>	10.3	1.5
Completeness [%]	98.4
Redundancy	6.7
CC(1/2)	0.998	0.724

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	2 M ammonium sulfate and 0.1 M Tris pH 7.5