6S2V

Structure of the N-terminal catalytic region of T. thermophilus Rel

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-09-10
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.008
Spacegroup name	P 41 21 2
Unit cell lengths	105.737, 105.737, 241.455
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.770 - 2.960
R-factor	0.224
Rwork	0.221
R-free	0.27500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1vj7
RMSD bond length	0.010
RMSD bond angle	1.180
Data reduction software	XDS
Data scaling software	autoPROC
Phasing software	Rosetta
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.770	3.120
High resolution limit [Å]	2.960	2.960
Rmerge	0.210	1.690
Rpim	0.060	0.520
Number of reflections	21371	401
<I/σ(I)>	14.38
Completeness [%]	93.7
Redundancy	13.9
CC(1/2)	0.996	0.611

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	0.2 M Sodium bromide 0.1 M Bis-Tris propane 7.5 20 % w/v PEG 3350