1YB3

Conserved hypothetical protein Pfu-178653-001 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
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.9795
Spacegroup name	C 1 2 1
Unit cell lengths	109.134, 44.388, 55.326
Unit cell angles	90.00, 118.82, 90.00

Refinement procedure

Resolution	48.450 - 1.600
R-factor	0.20521
Rwork	0.204
R-free	0.22910
Structure solution method	SAS
RMSD bond length	0.012
RMSD bond angle	1.151
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE (2.06)
Refinement software	REFMAC (refmac_5.2.0005)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.660
High resolution limit [Å]	1.600	3.450	1.600
Rmerge	0.052	0.042	0.218
Total number of observations		3129	1066
Number of reflections	26254
Completeness [%]	84.8	98.2	34.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	modified microbatch	3.6	291	12% w/v PEG 4000, 0.2M sodium chloride, 0.2M magnesium chloride, 0.1M sodium citrate, pH 3.6, modified microbatch, temperature 291K