8G9Z

High-resolution crystal structure of the human selenomethionine-derived SepSecS-tRNASec complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	80
Detector technology	PIXEL
Collection date	2019-06-27
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.979439
Spacegroup name	P 31 1 2
Unit cell lengths	167.183, 167.183, 239.087
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.250 - 2.070
R-factor	0.177
Rwork	0.177
R-free	0.19000
Structure solution method	SAD
RMSD bond length	0.002
RMSD bond angle	0.528
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SHELX
Refinement software	PHENIX (DEV_3951)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.110
High resolution limit [Å]	2.070	5.620	2.070
Rmerge	0.992	0.067	3.398
Rmeas	0.266
Number of reflections	456255	22776	22711
<I/σ(I)>	4.3	85.39	1.07
Completeness [%]	100.0	99.6	100
Redundancy	10.7	12.2	10.6
CC(1/2)	0.996	0.999	0.337

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	285.15	5.0 mg/mL of human SeMet-SepSecS-tRNASec (with a 2-fold molar excess of SepSecS) was crystallized in in 0.28-0.3 M ammonium acetate, 19.8% (v/v) MPD, and 0.1 M sodium citrate titrated with 0.057 M HCl to a pH of 5.5.