2X3D

Crystal Structure of SSo6206 from Sulfolobus solfataricus P2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	2008-02-20
Detector	MARMOSAIC 225 mm CCD
Spacegroup name	C 1 2 1
Unit cell lengths	151.090, 82.980, 69.860
Unit cell angles	90.00, 109.70, 90.00

Refinement procedure

Resolution	29.630 - 2.700
R-factor	0.22734
Rwork	0.226
R-free	0.24731
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2raq
RMSD bond length	0.009
RMSD bond angle	1.124
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0090)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.600	2.770
High resolution limit [Å]	2.700	2.700
Rmerge	0.080	0.510
Number of reflections	21244
<I/σ(I)>	12.8	3.7
Completeness [%]	100.0	100
Redundancy	5	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.75		CRYSTALLIZATION CONDITIONS ARE REPORTED IN MCEWAN ET AL.(2006)OVEREXPRESSION, PURIFICATION, CRYSTALLIZATION AND DATA COLLECTION OF SULFOLOBUS SOLFATARICUS SSO6206, A NOVEL HIGHLY CONSERVED PROTEIN. ACTA CRYSTALLOGRAPHICA SECTION F. F62, 228-230, PH 7.75