3QJY

Crystal structure of P-loop G234A mutant of subunit A of the A1AO ATP synthase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B2
Synchrotron site	SPring-8
Beamline	BL26B2
Temperature [K]	100
Detector technology	CCD
Collection date	2009-07-18
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.00
Spacegroup name	P 43 21 2
Unit cell lengths	128.182, 128.182, 105.788
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.830 - 2.350
R-factor	0.23445
Rwork	0.233
R-free	0.26315
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1vdz
RMSD bond length	0.008
RMSD bond angle	1.095
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.5.0072)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	2.430
High resolution limit [Å]	2.350	5.060	2.350
Rmerge	0.055	0.023	0.437
Number of reflections	37307
<I/σ(I)>	8.9
Completeness [%]	99.9	99.2	100
Redundancy	7.2	6.9	6.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	291	50% (v/v) MPD, 2mM MgADP, 0.1M acetate (pH 4.5), vapor diffusion, hanging drop, temperature 291K