2I0X

Hypothetical protein PF1117 from Pyrococcus furiosus

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	2006-03-17
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.9724
Spacegroup name	P 41 21 2
Unit cell lengths	48.203, 48.203, 84.272
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 - 2.700
R-factor	0.261
Rwork	0.261
R-free	0.30500
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.400
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SGXPRO
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.490
High resolution limit [Å]	2.400	2.400
Number of reflections	4033
<I/σ(I)>	20.2	3.7
Completeness [%]	93.7	58.3
Redundancy	21.1	5.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.2	291	1 MICROLITER DROPS CONTAINING EQUAL VOLUMES OF PROTEIN SOLUTION (10 MG/ML) AND A PRECIPITANT SOLUTION CONTAINING 20% PEG 8000, 200 MM SODIUM CHLORIDE, 12% GLYCEROL IN 100MM PHOSPHATE-CITRATE BUFFER, pH 4.2, VAPOR DIFFUSION, SITTING DROP, temperature 291K