8CBA

Crystal structure of N-terminal domain of TraF, protein of a type IV secretion system from E.faecalis (pIP501)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, DESY BEAMLINE P11
Synchrotron site	PETRA III, DESY
Beamline	P11
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-05-06
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.033
Spacegroup name	P 21 21 21
Unit cell lengths	48.882, 53.790, 83.229
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.180 - 1.250
R-factor	0.1767
Rwork	0.176
R-free	0.20330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	low resolution structure obtained by SeMet-SAD
RMSD bond length	0.005
RMSD bond angle	0.774
Data reduction software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.180	1.295
High resolution limit [Å]	1.250	1.250
Rmerge	0.088	0.853
Rmeas	0.093	0.898
Rpim	0.028	0.277
Number of reflections	117283	6018
<I/σ(I)>	14.15	2.35
Completeness [%]	99.9
Redundancy	11.1
CC(1/2)	0.996	0.914

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.2	293	JCSG, C1 - 0.2 M Sodium chloride. 0.1 M Phosphate/citrate pH4.2, 20%w/v PEG8000