1XX7

Conserved hypothetical protein from Pyrococcus furiosus Pfu-403030-001

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
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.969
Spacegroup name	P 21 21 21
Unit cell lengths	98.073, 111.335, 125.984
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	83.333 - 2.261
R-factor	0.20098
Rwork	0.200
R-free	0.24620
Structure solution method	SAD
RMSD bond length	0.018
RMSD bond angle	1.461
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE (2.03)
Refinement software	REFMAC (refmac_5.2.0005)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	2.330
High resolution limit [Å]	2.250	4.840	2.250
Rmerge	0.061	0.026	0.358
Total number of observations		6798	6375
Number of reflections	64843
Completeness [%]	99.9	100	99.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	291	30% v/v PEG 2000 MME, 0.2M ammonium sulfate, 0.1M ammonium acetate, pH 4.6, VAPOR DIFFUSION, SITTING DROP, temperature 291K