2R31

Crystal structure of atp12p from paracoccus denitrificans

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2007-07-07
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	43.553, 55.749, 96.616
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.000
R-factor	0.1187
Rwork	0.118
R-free	0.14250
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2p4x
RMSD bond length	0.014
RMSD bond angle	0.032
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.060
High resolution limit [Å]	1.000	1.000
Rmerge	0.062	0.745
Number of reflections	127208
<I/σ(I)>	25.41	3.97
Completeness [%]	99.8	99.9
Redundancy	14.49	14.34

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8.5	278	30% PEG4000, 50 MM MGCL2, 100 MM TRIS VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 278K, pH 8.5