4N8N

Crystal structure of Mycobacterial FtsX extracellular domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	CCD
Collection date	2012-12-06
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.11
Spacegroup name	P 21 21 2
Unit cell lengths	106.248, 150.009, 28.658
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.243 - 1.874
R-factor	0.1886
Rwork	0.186
R-free	0.23300
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.980
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	PHENIX (1.8.3_1479)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.940
High resolution limit [Å]	1.870	4.030	1.870
Rmerge	0.111	0.047	0.839
Number of reflections	38783
<I/σ(I)>	8.7
Completeness [%]	99.5	99.8	95.3
Redundancy	6.8	6.5	6.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	291	25% PEG MME 2000, 150mM KBr, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 291K