9WSF

Crystal structure of Sigma28/FlgM complex from Pseudomonas aeruginosa at 1.95 Angstrom resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM30A
Synchrotron site	ESRF
Beamline	BM30A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-11-24
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.965459
Spacegroup name	C 2 2 21
Unit cell lengths	56.028, 139.890, 74.308
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	52.010 - 1.950
R-factor	0.1797
Rwork	0.177
R-free	0.22600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	AlphaFold
RMSD bond length	0.007
RMSD bond angle	0.823
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (v1.17.1-3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	69.940	2.000
High resolution limit [Å]	1.950	1.950
Rmerge	0.059	0.396
Rmeas	0.069	0.464
Rpim	0.034	0.233
Number of reflections	20852	1489
<I/σ(I)>	7.7	2.6
Completeness [%]	96.6	98.7
Redundancy	3.5	3.3
CC(1/2)	0.994	0.803

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	281.15	15% PEG 8000, 0.1 M sodium cacodylate pH 5.0, 0.2 M magnesium acetate