6NDX

Lysinoalanine cross-linked FlgE dimer from Treponema denticola

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	77
Detector technology	PIXEL
Collection date	2018-10-17
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	P 1 21 1
Unit cell lengths	41.565, 136.352, 112.184
Unit cell angles	90.00, 96.53, 90.00

Refinement procedure

Resolution	43.100 - 3.040
R-factor	0.2525
Rwork	0.248
R-free	0.31570
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.567
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.100	3.130
High resolution limit [Å]	3.040	3.040
Number of reflections	28592
<I/σ(I)>	7.7
Completeness [%]	96.7
Redundancy	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	crystallized in two conditions: (1) 100 mM Tris pH 8.5, 20% (w/v) PEG8000, 200 mM magnesium chloride and (2) 200 mM magnesium acetate, 20% PEG3350 (w/v)