5Z41

Aquifex aeolicus MutL endonuclease domain with a single zinc ion.

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	2016-05-15
Detector	RAYONIX MX225HE
Wavelength(s)	1.0000
Spacegroup name	P 32 2 1
Unit cell lengths	68.697, 68.697, 36.642
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.747 - 1.700
R-factor	0.2216
Rwork	0.218
R-free	0.25640
Structure solution method	SAD
RMSD bond length	0.005
RMSD bond angle	0.838
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.760
High resolution limit [Å]	1.700	1.700
Rmerge	0.074	0.802
Rmeas	0.078	0.842
Rpim	0.024	0.253
Number of reflections	11089	538
<I/σ(I)>	55.7	3.45
Completeness [%]	98.7	97.1
Redundancy	10.7	10.9
CC(1/2)	0.962	0.920

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	50 mM Tris-HCl, 100 mM magnesium chloride, 12.5% polyethylene glycol 3,350, pH 8.5