7MGT

Ftp from Treponema pallidum bound to an ADP-like inhibitor

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	2020-11-04
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97918
Spacegroup name	C 1 2 1
Unit cell lengths	116.483, 47.106, 57.472
Unit cell angles	90.00, 102.30, 90.00

Refinement procedure

Resolution	35.840 - 1.540
R-factor	0.1525
Rwork	0.150
R-free	0.19770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ifu
RMSD bond length	0.006
RMSD bond angle	0.961
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.844	1.570
High resolution limit [Å]	1.540	1.540
Number of reflections	43888	2200
<I/σ(I)>	40.8
Completeness [%]	97.0
Redundancy	6.8
CC(1/2)	0.994	0.931

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M magnesium formate dihydrate 15% (w/v) PEG 3350