5CDF

Structure at 2.3 A of the alpha/beta monomer of the F-ATPase from Paracoccus denitrificans

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-10-10
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9763
Spacegroup name	P 1 21 1
Unit cell lengths	72.550, 102.920, 89.180
Unit cell angles	90.00, 112.67, 90.00

Refinement procedure

Resolution	33.550 - 2.300
R-factor	0.2268
Rwork	0.225
R-free	0.25670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2jdi
RMSD bond length	0.007
RMSD bond angle	1.065
Data reduction software	iMOSFLM
Data scaling software	Aimless (0.3.11)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0123)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	33.550	33.550	2.370
High resolution limit [Å]	2.300	9.480	2.300
Rmerge	0.137	0.061	0.525
Rpim	0.094	0.041	0.364
Total number of observations	142669	2281	12408
Number of reflections	48901
<I/σ(I)>	5.5	13.5	1.9
Completeness [%]	91.4	90.6	94.1
Redundancy	2.9	3.2	2.8
CC(1/2)	0.984	0.985	0.603

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	7.8	298	PEG 10,000, cadaverine, Tris pH 7.8, glycerol, ATP