4NCH

Crystal Structure of Pyrococcus furiosis Rad50 L802W mutation

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97945
Spacegroup name	P 32 2 1
Unit cell lengths	70.443, 70.443, 281.948
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.128 - 2.300
R-factor	0.2087
Rwork	0.207
R-free	0.24590
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.682
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX (dev_1233)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		2.360
High resolution limit [Å]	2.300	10.280	2.300
Rmerge	0.044	0.026	0.712
Number of reflections	69350
<I/σ(I)>	14.02	37.87	1.75
Completeness [%]	99.5	96.4	98.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.6	293	100 mM Bicine, 6-14% PEG 20000, 2 mM Dioxane, pH 8.6, vapor diffusion, sitting drop, temperature 293K
1	VAPOR DIFFUSION, SITTING DROP	8.6	293	100 mM Bicine, 6-14% PEG 20000, 2 mM Dioxane, pH 8.6, vapor diffusion, sitting drop, temperature 293K