5X9Y

Crystal structure of the ATPase domain from bacterial mismatch repair endonuclease Aquifex aeolicus MutL.

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	2016-12-07
Detector	RAYONIX MX-225
Wavelength(s)	1.0000
Spacegroup name	I 21 21 21
Unit cell lengths	126.929, 145.253, 176.769
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.050 - 3.443
R-factor	0.2597
Rwork	0.256
R-free	0.29540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bkn
RMSD bond length	0.002
RMSD bond angle	0.587
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]	43.050	3.570
High resolution limit [Å]	3.440	3.440
Rmerge	0.134	1.008
Rpim	0.054	0.397
Number of reflections	21839	1053
<I/σ(I)>	16.3	2.13
Completeness [%]	100.0	100
Redundancy	7.2	7.4
CC(1/2)		0.725

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	50 mM Bis-Tris 1.5 M sodium chloride 25% PEG3350