6HE6

Crystal structure of Extracellular Domain 1 (ECD1) of FtsX from S. pneumonie in complex with dodecane-trimethylamine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-09-13
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.97934
Spacegroup name	P 43 21 2
Unit cell lengths	75.870, 75.870, 97.928
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.050 - 2.000
R-factor	0.2431
Rwork	0.241
R-free	0.28190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4n8n
RMSD bond length	0.007
RMSD bond angle	0.889
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MoRDa
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.050	2.050
High resolution limit [Å]	2.000	2.000
Rpim	0.006	0.444
Number of reflections	19939
<I/σ(I)>	23.12
Completeness [%]	96.7
Redundancy	24.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291.15	ammonium sulfate, sodium and potassium tartrate and sodium citrate