5Y0T

Crystal structure of Thermotoga maritima TmcAL bound with alpha-thio ATP(Form II)

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 S 6M
Wavelength(s)	0.98
Spacegroup name	P 1 21 1
Unit cell lengths	80.618, 97.813, 144.605
Unit cell angles	90.00, 99.28, 90.00

Refinement procedure

Resolution	47.571 - 1.900
R-factor	0.1721
Rwork	0.170
R-free	0.20330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5y0r
RMSD bond length	0.007
RMSD bond angle	1.096
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		1.950
High resolution limit [Å]	1.900	8.500	1.900
Rmerge	0.113	0.021	1.415
Rmeas	0.122	0.023	1.532
Number of reflections	170997	2019	12435
<I/σ(I)>	14.32	70.69	1.34
Completeness [%]	98.1	98.8	96.6
Redundancy	7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	Tris, PEG8000, NaCl