9ST4

Structure of IglF:IglGN complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-07-06
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.980105
Spacegroup name	I 1 2 1
Unit cell lengths	95.003, 83.791, 105.505
Unit cell angles	90.00, 106.40, 90.00

Refinement procedure

Resolution	45.570 - 3.080
R-factor	0.267
Rwork	0.266
R-free	0.29020
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.563
Data reduction software	XDS (20220110)
Data scaling software	Aimless (v0.7.7)
Phasing software	PHASER
Refinement software	PHENIX ((1.21_5207: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.570	3.290
High resolution limit [Å]	3.080	3.080
Rmerge	0.118	1.436
Rmeas	0.126	1.541
Rpim	0.045	0.553
Total number of observations	114935	19604
Number of reflections	14803	2626
<I/σ(I)>	10.2	1.5
Completeness [%]	99.6
Redundancy	7.8	7.5
CC(1/2)	0.999	0.693

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	292	10% (w/v) PEG 6000 5% (v/v) MPD 0.1 M Hepes pH 7.5