8ACU

Structure of Bacillus subtilis Rel in complex with DarB

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-12-20
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9801
Spacegroup name	P 21 21 21
Unit cell lengths	94.401, 98.141, 126.775
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	75.720 - 2.970
R-factor	0.2627
Rwork	0.260
R-free	0.31530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6s2t
RMSD bond length	0.002
RMSD bond angle	0.511
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	77.600	3.080
High resolution limit [Å]	2.970	2.970
Rpim	0.061	0.851
Number of reflections	22489	1023
<I/σ(I)>	11.1
Completeness [%]	95.0
Redundancy	20.1
CC(1/2)	0.998	0.387

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293.16	0.1 M Magnesium chloride hexahydrate 0.1 M Sodium HEPES 7.5 10 % w/v PEG 4000