3SSA

Crystal structure of subunit B mutant N157T of the A1AO ATP synthase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL12B2
Synchrotron site	SPring-8
Beamline	BL12B2
Temperature [K]	100
Detector technology	CCD
Collection date	2010-02-07
Detector	ADSC QUANTUM 315
Wavelength(s)	1.00
Spacegroup name	P 21 21 21
Unit cell lengths	73.335, 95.803, 130.367
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	13.450 - 1.700
R-factor	0.1482
Rwork	0.146
R-free	0.19310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2c61
RMSD bond length	0.030
RMSD bond angle	2.379
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	1.760
High resolution limit [Å]	1.700	3.660	1.700
Rmerge	0.044	0.018	0.284
Number of reflections	101545
<I/σ(I)>	7.8
Completeness [%]	99.5	97.3	98.1
Redundancy	5.4	5.4	4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	291	30% glycerol, PEG 400, 0.1M Sodium Chloride and 0.1M Sodium citrate (pH 5.0), vapor diffusion, hanging drop, temperature 291K