6YXA

Structure of the bifunctional Rel enzyme from B. subtilis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-02-15
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979
Spacegroup name	P 43 21 2
Unit cell lengths	130.152, 130.152, 157.621
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.720 - 3.950
R-factor	0.2655
Rwork	0.264
R-free	0.28390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1vj7 chain B
RMSD bond length	0.003
RMSD bond angle	0.552
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.18_3845)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.720	4.090
High resolution limit [Å]	3.950	3.950
Rpim	0.043	0.528
Number of reflections	12337	1158
<I/σ(I)>	10.04
Completeness [%]	99.3
Redundancy	14.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	1 M Lithium chloride, 0.1 M Bicine pH 9.0, 10% PEG6000 (w/v), final pH 9.0