4ZDP

The crystal structure of Y334C mutant of human SepSecS in complex with selenocysteine tRNA (tRNASec)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	80
Detector technology	CCD
Collection date	2014-05-29
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97856
Spacegroup name	P 31 1 2
Unit cell lengths	167.263, 167.263, 240.146
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.649 - 2.703
R-factor	0.2018
Rwork	0.200
R-free	0.23220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3hl2
RMSD bond length	0.012
RMSD bond angle	1.056
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.750
High resolution limit [Å]	2.700	7.320	2.700
Rmerge	0.113	0.031
Rmeas	0.118	0.034
Rpim	0.051	0.013	0.506
Total number of observations	599300
Number of reflections	98463
<I/σ(I)>	9.5
Completeness [%]	94.0	99.5	91.3
Redundancy	6.1	7	5.6
CC(1/2)		0.999	0.616

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		285	0.1M Na-cacodylate, pH 6.0 0.24M lithium citrate 8% (w/v) PEG 3,350