5Y0N

Crystal structure of Bacillus subtilis TmcAL bound with ATP (SeMet derivative)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	95
Detector technology	PIXEL
Collection date	2014-12-02
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97875
Spacegroup name	P 21 21 21
Unit cell lengths	68.037, 68.021, 209.952
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.783 - 2.302
R-factor	0.1831
Rwork	0.181
R-free	0.22090
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.322
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.340
High resolution limit [Å]	2.300	6.240	2.300
Rmerge	0.053	0.020	2.175
Rpim	0.022	0.008	0.943
Number of reflections	83357	4163	4194
<I/σ(I)>	18.21	73.9	0.8
Completeness [%]	99.9	99.9	99.34
Redundancy	6.93	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	Tris-HCl, PEG400, KCl, MgCl2