4ZDO

The crystal structure of T325S 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-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	80
Detector technology	CCD
Collection date	2014-02-22
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.978
Spacegroup name	P 31 1 2
Unit cell lengths	166.238, 166.238, 238.160
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.492 - 2.650
R-factor	0.1996
Rwork	0.198
R-free	0.23500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3hl2
RMSD bond length	0.015
RMSD bond angle	1.044
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.440
High resolution limit [Å]	2.400	6.510	2.400
Rmerge	0.152	0.060
Rmeas	0.161	0.063
Rpim	0.059	0.019
Total number of observations	1085896
Number of reflections	133611
<I/σ(I)>	5
Completeness [%]	90.9	99.9	35
Redundancy	8.1	11	1.5
CC(1/2)		0.995	0.030

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		285	0.1M Na-cacodylate, pH 6.4 0.24M lithium citrate 10-12% (w/v) PEG 3,350