9N2K

N-terminal domain of Bacillus subtilis MutL bound to ADP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-04-27
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9774
Spacegroup name	P 1 21 1
Unit cell lengths	56.720, 110.980, 57.410
Unit cell angles	90.00, 94.47, 90.00

Refinement procedure

Resolution	56.550 - 1.360
R-factor	0.1761
Rwork	0.176
R-free	0.19560
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.102
Data reduction software	MOSFLM (7.2.2)
Data scaling software	pointless (1.11.21)
Phasing software	PHENIX
Refinement software	PHENIX (1.21_5207)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	56.550	1.400
High resolution limit [Å]	1.360	1.360
Rmerge	0.054
Rmeas	0.059
Rpim	0.023	0.527
Number of reflections	145937	10546
<I/σ(I)>	13.58	1.35
Completeness [%]	96.4	90.69
Redundancy	6.1	5
CC(1/2)	0.999	0.436

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	295.2	0.2 M ammonium sulfate, 21% PEG3350, 0.1 M HEPES, pH 7.5