2FNA

Crystal structure of an archaeal aaa+ atpase (sso1545) from sulfolobus solfataricus p2 at 2.00 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2005-10-31
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.95372, 0.979996
Spacegroup name	P 1 21 1
Unit cell lengths	55.360, 108.350, 70.570
Unit cell angles	90.00, 100.31, 90.00

Refinement procedure

Resolution	69.500 - 2.000
R-factor	0.17656
Rwork	0.174
R-free	0.22600
Structure solution method	MAD
RMSD bond length	0.014
RMSD bond angle	1.425
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	69.500	69.500	2.070
High resolution limit [Å]	2.000	4.300	2.000
Rmerge	0.067	0.599	0.424
Number of reflections	53921	10852	8517
<I/σ(I)>	9.53	25.04	2.05
Completeness [%]	91.6		79.6
Redundancy	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION,SITTING DROP,NANODROP	9.5	277	20.0% PEG-8000, 0.1M CHES, pH 9.5, VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 277K