6S2T

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

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	2016-07-22
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.98012
Spacegroup name	P 41 2 2
Unit cell lengths	87.927, 87.927, 184.252
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	62.170 - 2.750
R-factor	0.197
Rwork	0.196
R-free	0.22000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1vj7
RMSD bond length	0.009
RMSD bond angle	1.100
Data reduction software	XDS
Data scaling software	autoPROC
Phasing software	Rosetta
Refinement software	BUSTER

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	92.130	2.900
High resolution limit [Å]	2.750	2.750
Rmerge	0.160	2.452
Rmeas	0.204	2.508
Rpim	0.041	0.522
Number of reflections	14292	2751
<I/σ(I)>	13.7
Completeness [%]	99.8	98.9
Redundancy	24.8	22.6
CC(1/2)	0.999	0.627

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	0.2M Sodium formate; 0.2M Ammonium acetate; 0.2M Sodium citrate tribasic dihydrate; 0.2M Sodium potassium tartrate tetrahydrate; 0.2M Sodium oxamate, Sodium HEPES; MOPS (acid) pH 7.5, 25% v/v MPD; 25% PEG 1000; 25% w/v PEG 3350