8H1F

Aquifex aeolicus MutL endonuclease domain complexed with zinc ions after soaking

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	2016-09-30
Detector	RAYONIX MX225HE
Wavelength(s)	1.0000
Spacegroup name	P 43 21 2
Unit cell lengths	35.529, 35.529, 167.288
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.750 - 1.220
R-factor	0.1583
Rwork	0.157
R-free	0.17540
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	0.866
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AutoSol
Refinement software	PRIME-X (1.19.2-4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.750	1.260
High resolution limit [Å]	1.220	1.220
Rpim	0.020	0.170
Number of reflections	33167	3220
<I/σ(I)>	57.2	4.2
Completeness [%]	99.7
Redundancy	13.4
CC(1/2)	0.910	0.930

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