2X5Q

Crystal Structure of Hypothetical protein sso1986 from Sulfolobus solfataricus P2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	CCD
Collection date	2007-09-02
Detector	ADSC CCD
Spacegroup name	C 1 2 1
Unit cell lengths	127.933, 46.183, 62.574
Unit cell angles	90.00, 109.26, 90.00

Refinement procedure

Resolution	29.540 - 2.050
R-factor	0.19073
Rwork	0.189
R-free	0.22682
Structure solution method	SAD
Starting model (for MR)	NONE
RMSD bond length	0.011
RMSD bond angle	1.229
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELXCDE (SOLVE RESOLVE)
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.540	2.100
High resolution limit [Å]	2.050	2.050
Rmerge	0.060	0.350
Number of reflections	20562
<I/σ(I)>	4.5	4.5
Completeness [%]	99.0	97.7
Redundancy	4.1	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		4		19.2% PEG 6000, 0.1M NA-CITRATE, PH4.0, 0.93M LICL2, 9% ETHYLENE GLYCOL FREEZING SOLUTION: 21.0% PEG 6000, 0.1M NA-CITRATE, PH4.0, 0.5M LICL2, 25% ETHYLENE GLYCOL.DERIVATIVE CRYSTALS FOR SAD PHASING WERE OBTAINED BY SOAKING THE CRYSTALS IN 200 MM TRIMETHYLLEAD CHLORIDE, 500 MM POTASSIUM OSMATE AND 200 MM DIPOTASSIUM HEXACHLORO OSMATE