4OD6

Structure of Smr domain of MutS2 from Deinococcus radiodurans, Mn2+ soaked

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2011-06-02
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97930
Spacegroup name	P 21 21 21
Unit cell lengths	31.120, 46.640, 49.260
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.310 - 1.199
R-factor	0.1834
Rwork	0.182
R-free	0.20890
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.019
RMSD bond angle	1.849
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.230
High resolution limit [Å]	1.199	1.199
Number of reflections	22713
Completeness [%]	98.3	96.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	crystal formed spontaneously in protein solution stored at 4 degree	8.8	297	30mM NaCl and 20mM Tris-HCl, soaked in 5mM MnCl2 before x-ray data collection, pH 8.8, crystal formed spontaneously in protein solution stored at 4 degree, temperature 297K