5Y0P

Crystal structure of Bacillus subtilis TmcAL bound with alpha-thio ATP

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	2014-12-25
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.98
Spacegroup name	P 21 21 21
Unit cell lengths	67.995, 67.999, 211.168
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.906 - 2.300
R-factor	0.2013
Rwork	0.200
R-free	0.22540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5y0n
RMSD bond length	0.007
RMSD bond angle	1.252
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	6.230	2.300
Rmerge	0.076	0.027	1.884
Rpim	0.022	0.008	0.548
Number of reflections	44459	2426	2137
<I/σ(I)>	20.46	69.3	1.3
Completeness [%]	99.8	99.96	95.87
Redundancy	12.83	11.39	12.42

Crystallization Conditions

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