8T7M

Iron and Copper bound HftA from Treponema denticola

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-08-04
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.95374
Spacegroup name	P 63
Unit cell lengths	105.250, 105.250, 79.590
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.790 - 1.820
R-factor	0.205
Rwork	0.204
R-free	0.23310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3pjl
RMSD bond length	0.008
RMSD bond angle	0.943
Data reduction software	autoPROC
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.570	1.920
High resolution limit [Å]	1.820	1.820
Rmerge	0.084	0.395
Number of reflections	44957	4462
<I/σ(I)>	18.1
Completeness [%]	99.9	99.7
Redundancy	19.3
CC(1/2)	0.999	0.848

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	Sodium citrate, Ammonium sulphate, glycerol