6LZK

Aquifex aeolicus MutL ATPase domain with K252N mutation

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	2017-06-01
Detector	RAYONIX MX225HE
Wavelength(s)	1.0000
Spacegroup name	I 21 21 21
Unit cell lengths	128.900, 146.295, 175.585
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.357 - 3.159
R-factor	0.231393173265
Rwork	0.228
R-free	0.27175
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5x9y
RMSD bond length	0.005
RMSD bond angle	0.992
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]	50.000	3.310
High resolution limit [Å]	3.159	3.159
Rmerge	0.103	0.892
Rpim	0.041	0.356
Number of reflections	26577	2579
<I/σ(I)>	23.4	2.59
Completeness [%]	99.9	100
Redundancy	7.2	7.2
CC(1/2)	0.793

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.2	293	2.5 M NaCl, 100 mM KH2PO4/Na2HPO4