2P8T

Hypothetical protein PH0730 from Pyrococcus horikoshii OT3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2007-01-31
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97243
Spacegroup name	P 21 21 21
Unit cell lengths	34.709, 60.971, 84.434
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 1.800
R-factor	0.229
Rwork	0.227
R-free	0.27900
Structure solution method	SAD
RMSD bond length	0.011
RMSD bond angle	1.238
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	ISAS (PIPELINE)
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.850
High resolution limit [Å]	1.790	3.860	1.790
Rmerge		0.065	0.240
Number of reflections	17130
<I/σ(I)>	17.7
Completeness [%]	96.9	99.5	76.9
Redundancy	13.1	12.7	9.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.4	293	USING 2 MICROLITER DROPS CONTAINING EQUAL VOLUMES OF PROTEIN CONCENTRATE (7.8 mg/ml) AND RESERVOIR SOLUTION CONTAINING 30% w/v PEG4000, 0.2M Mg chloride, 0.1M Tris-HCl (pH 8.4) , VAPOR DIFFUSION, SITTING DROP, temperature 293K