6LZJ

Aquifex aeolicus MutL ATPase domain complexed with AMPPCP

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	2018-02-09
Detector	RAYONIX MX225HE
Wavelength(s)	1.0000
Spacegroup name	P 1
Unit cell lengths	35.016, 42.863, 53.859
Unit cell angles	81.11, 71.60, 77.69

Refinement procedure

Resolution	33.847 - 1.728
R-factor	0.210518540207
Rwork	0.209
R-free	0.23429
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5x9y
RMSD bond length	0.010
RMSD bond angle	1.299
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX (v1.10.1)
Refinement software	PHENIX (v1.10.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.850	1.790
High resolution limit [Å]	1.728	1.730
Rmerge	0.068	0.769
Rpim	0.041	0.458
Number of reflections	27191	2818
<I/σ(I)>	25.5	1.96
Completeness [%]	92.2	96.1
Redundancy	7.8	3.9
CC(1/2)	0.750

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	50 mM tris-HCl, 50 mM NaCl, 5 mM MgCl2, 5 mM AMPPCP