7L1T

Crystal structure of human holo SepSecS

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	CCD
Collection date	2015-06-26
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.0333
Spacegroup name	P 6 2 2
Unit cell lengths	154.216, 154.216, 76.257
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.640 - 2.250
R-factor	0.1948
Rwork	0.192
R-free	0.22950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3hl2
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER (2.5.6)
Refinement software	PHENIX (dev_3951)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.290
High resolution limit [Å]	2.250	6.100	2.250
Rmerge	0.093	0.054
Rmeas	0.099	0.058
Rpim	0.044	0.021
Total number of observations	218393
Number of reflections	25765	1426	1257
<I/σ(I)>	4.5
Completeness [%]	99.9	98.3	100
Redundancy	8.5	7.5	8.9
CC(1/2)		0.998	0.169

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.3	285	0.36 M lithium citrate, 15% PEG 3,350, 0.1 M sodium cacodylic acid, 0.04 M HCl 4 mg/mL SepSecS, 1 mg/mL human tRNASec