5Y0R

Crystal structure of Thermotoga maritima TmcAL (apo, form I)

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)	0.97884
Spacegroup name	P 41 21 2
Unit cell lengths	77.448, 77.448, 183.076
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.933 - 3.110
R-factor	0.2178
Rwork	0.215
R-free	0.27390
Structure solution method	SAD
RMSD bond length	0.002
RMSD bond angle	0.595
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		3.190
High resolution limit [Å]	3.110	13.910	3.110
Rmerge	0.177	0.041	1.874
Rmeas	0.183	0.043	1.948
Number of reflections	19083	212	1379
<I/σ(I)>	14.14	48.35	1.72
Completeness [%]	99.9	98.1	98.6
Redundancy	25

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	Tris, isopropanol, MgCl2