2R9V

Crystal structure of ATP synthase subunit alpha (TM1612) from Thermotoga maritima at 2.10 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2007-08-30
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97960
Spacegroup name	P 41 21 2
Unit cell lengths	97.410, 97.410, 219.380
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.679 - 2.100
R-factor	0.182
Rwork	0.180
R-free	0.21500
Structure solution method	SAD
RMSD bond length	0.017
RMSD bond angle	1.644
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.679	48.679	2.190
High resolution limit [Å]	2.100	4.360	2.100
Rmerge	0.143	0.043	0.897
Number of reflections	62330	7383	7233
<I/σ(I)>	11.44	32.3	2
Completeness [%]	99.8	99.8	99.8
Redundancy	7.17		7.29

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.21	277	NANODROP, 1.3% PEG 6000, 0.1M Citric acid pH 4.21, VAPOR DIFFUSION, SITTING DROP, temperature 277K