7ZTB

Structure of the Salmonella tRNA pyrophosphokinase CapRel

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	2021-04-03
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97856
Spacegroup name	P 1 21 1
Unit cell lengths	49.573, 136.196, 57.782
Unit cell angles	90.00, 102.70, 90.00

Refinement procedure

Resolution	68.100 - 2.312
R-factor	0.2145
Rwork	0.212
R-free	0.26480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6s2t
RMSD bond length	0.008
RMSD bond angle	0.970
Data reduction software	autoPROC
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	BUSTER (2.10.4 (3-FEB-2022))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	68.100	2.610
High resolution limit [Å]	2.312	2.312
Rmerge	0.115	1.292
Rmeas	0.124
Rpim	0.046
Number of reflections	20877	1044
<I/σ(I)>	11.2	1.5
Completeness [%]	91.9
Redundancy	7.1
CC(1/2)	0.998	0.531

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	277.16	peg 20000, 20%