7VUF

Crystal Structure of the core region of Thermus thermophilus MutS2.

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	2016-10-26
Detector	RAYONIX MX225HE
Wavelength(s)	1.00000
Spacegroup name	P 21 21 21
Unit cell lengths	93.485, 114.207, 292.879
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.890 - 3.110
R-factor	0.2274
Rwork	0.225
R-free	0.27850
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.503
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.19.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	10.000	3.140
High resolution limit [Å]	1.980	5.370	1.980
Rmerge	0.271	0.166	1.671
Rmeas	0.296	0.181	1.818
Rpim	0.117	0.070	0.710
Number of reflections	53869	11711	11111
<I/σ(I)>	10.13
Completeness [%]	99.8	99.8	100
Redundancy	6.5	6.3	6.5
CC(1/2)		0.946	0.499

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	25 mM HEPES-NaOH (pH 7.0), 100 mM potassium chloride, 12.5 mM magnesium sulfate, 10% (v/v) PEG 200