4PGO

Crystal structure of hypothetical protein PF0907 from Pyrococcus furiosus solved by sulfur SAD using Swiss Light Source data

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-08-30
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	2.066
Spacegroup name	P 65 2 2
Unit cell lengths	88.500, 88.500, 73.120
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.250 - 2.300
R-factor	0.189
Rwork	0.188
R-free	0.20260
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.076
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELXDE
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.300
Rmerge	0.046
Number of reflections	7558
<I/σ(I)>	69.96
Completeness [%]	95.0
Redundancy	51.16

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	6.5	293	MODIFIED MICROBATCH UNDER OIL USING 1.6M MAGNESIUM SULFATE IN 0.1M MES BUFFER, PH 6.5, TEMPERATURE 293K