6HFX

Crystal structure of Extracellular Domain 1 (ECD1) of FtsX from S. pneumonie in complex with n-decyl-B-D-maltoside

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 PILATUS3 6M
Wavelength(s)	0.979257
Spacegroup name	P 43 21 2
Unit cell lengths	75.496, 75.496, 95.311
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.576 - 2.160
R-factor	0.2626
Rwork	0.260
R-free	0.31570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6he6
RMSD bond length	0.010
RMSD bond angle	1.169
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	REFMAC
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.580	46.580
High resolution limit [Å]	2.160	2.160
Rmerge	0.072	1.526
Rmeas	0.074	1.563
Rpim	0.016	0.332
Number of reflections	28508
<I/σ(I)>	23.1
Completeness [%]	98.8
Redundancy	16.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	291.15	0.1 M Sodium Citrate pH=5.6, 0.2 M Potassium-Sodium Tartrate and 2M Amonium Sulfate