6YJA

DarB fom B. subtilis in complex with c-di-AMP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-05-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97625
Spacegroup name	P 21 21 21
Unit cell lengths	42.150, 65.410, 104.850
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.910 - 1.700
R-factor	0.1842
Rwork	0.183
R-free	0.21050
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1yav
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.910	50.000	1.760
High resolution limit [Å]	1.700	17.000	1.700
Rmerge	0.048	0.038	0.855
Rmeas	0.052	0.043	0.920
Total number of observations	231089
Number of reflections	32669	45	3231
<I/σ(I)>	24.45	43.62	2.41
Completeness [%]	99.8	93.8	99.8
Redundancy	7.074	4.356	7.34
CC(1/2)	0.999	0.996	0.886

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293.15	0.2 M calcium chloride dehydrate, 0.05 M HEPES sodium pH 7.5, 28 % v/v polyethylene glycol 400, 0.002 M spermine