6YIR

Crystal structure of Bacillus subtilis MsmX ATPase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	293
Detector technology	PIXEL
Collection date	2016-03-08
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9919
Spacegroup name	I 2 2 2
Unit cell lengths	86.758, 94.247, 132.263
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.970 - 1.680
R-factor	0.1997
Rwork	0.197
R-free	0.24950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1v43 1q12
RMSD bond length	0.020
RMSD bond angle	1.956
Data reduction software	XDS
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.930	1.800
High resolution limit [Å]	1.670	1.670
Number of reflections	41647	2082
<I/σ(I)>	18
Completeness [%]	95.0
Redundancy	6.5
CC(1/2)	0.999	0.518

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	100 mM ammonium sulfate, 100 mM HEPES pH 7.5 and 30% (w/v) polyethylene glycol 400