7VUK

Crystal Structure of the core region of Thermus thermophilus MutS2 complexed with ADP.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL38B1
Synchrotron site	SPring-8
Beamline	BL38B1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-05-16
Detector	RAYONIX MX225HE
Wavelength(s)	1.00000
Spacegroup name	P 41 21 2
Unit cell lengths	133.654, 133.654, 197.461
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.370 - 3.380
R-factor	0.2671
Rwork	0.267
R-free	0.27240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7vuf
RMSD bond length	0.003
RMSD bond angle	0.690
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX (1.19.2)
Refinement software	PHENIX (1.19.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.450
High resolution limit [Å]	3.380	8.670	3.380
Rmerge	0.315	0.072	3.226
Rmeas	0.411	0.075	3.372
Rpim	0.154	0.022	0.970
Number of reflections	30328	1690	1508
<I/σ(I)>	6.9
Completeness [%]	100.0	99.2	100
Redundancy	12.2	11.5	11.6
CC(1/2)		0.998	0.432

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	50 mM Tris-HCl (pH 8.5), 2.5 mM magnesium sulfate, 1.45 M 1,6-hexanediol, 2.5 mM ADP