9DCS

Structure of a TelD-associated type VII secretion system DUF4176 protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-12-11
Detector	DECTRIS PILATUS3 X 6M
Wavelength(s)	0.97902
Spacegroup name	P 31 2 1
Unit cell lengths	82.490, 82.490, 144.880
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.010 - 2.400
R-factor	0.2303
Rwork	0.228
R-free	0.27520
Structure solution method	SAD
RMSD bond length	0.002
RMSD bond angle	0.447
Data reduction software	xia2
Data scaling software	xia2
Phasing software	MLPHARE
Refinement software	PHENIX (1.19_4092)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.010	2.460
High resolution limit [Å]	2.400	2.400
Rmerge	0.219	2.825
Rmeas	0.225	3.046
Rpim	0.052	1.114
Number of reflections	23007	1676
<I/σ(I)>	11.6	1
Completeness [%]	100.0	100
Redundancy	18.6	13.9
CC(1/2)	0.999	0.406

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	1.8305 M Malonic Acid, 0.25 M Ammonium Citrate Tribasic, 0.12 M Succinic Acid, 0.3 M DL-Malic Acid, 0.4 M Sodium Acetate Trihydrate, 0.5 M Sodium Formate, 0.16 M Ammonium Tartrate Dibasic