8H1G

The R406T mutant form of the Aquifex aeolicus MutL endonuclease domain

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	2016-06-17
Detector	RAYONIX MX225HE
Wavelength(s)	1.0000
Spacegroup name	P 43 21 2
Unit cell lengths	35.582, 35.582, 167.825
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.810 - 1.430
R-factor	0.1959
Rwork	0.193
R-free	0.22090
Structure solution method	SAD
RMSD bond length	0.013
RMSD bond angle	1.265
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AutoSol
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.810	1.450
High resolution limit [Å]	1.430	1.430
Rpim	0.030	0.320
Number of reflections	20915	1856
<I/σ(I)>	42.2	2.6
Completeness [%]	99.4
Redundancy	7.3
CC(1/2)	0.980	0.850

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	293	200 mM sodium acetate (pH 4.6), 100 mM CdCl2, and 30 % (v/v) polyethylene glycol 300