4UOB

Crystal structure of Deinococcus radiodurans Endonuclease III-3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Wavelength(s)	1.07812, 1.735
Spacegroup name	C 1 2 1
Unit cell lengths	91.240, 40.510, 72.150
Unit cell angles	90.00, 102.34, 90.00

Refinement procedure

Resolution	41.932 - 1.310
R-factor	0.1348
Rwork	0.134
R-free	0.15930
Structure solution method	SAD
Starting model (for MR)	NONE
RMSD bond length	0.010
RMSD bond angle	1.257
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	Auto-Rickshaw
Refinement software	PHENIX ((PHENIX.REFINE: 1.9_1692))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.340
High resolution limit [Å]	1.310	1.310
Rmerge	0.060	0.300
Number of reflections	61009
<I/σ(I)>	17.4	2.1
Completeness [%]	98.2	90.2
Redundancy	6.8	1.87

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.5		0.1M MES PH6.5, 1.4M AMMONIUM SULPHATE AND 0.01M COBALT (II) CHLORIDE HEXAHYDRATE