5THH

Crystal structure of a human tyrosyl-tRNA synthetase mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	193
Detector technology	CCD
Collection date	2016-03-01
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.07808
Spacegroup name	P 2 21 21
Unit cell lengths	35.238, 75.705, 163.510
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.852 - 1.959
R-factor	0.1804
Rwork	0.178
R-free	0.21890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1n3l
RMSD bond length	0.018
RMSD bond angle	1.616
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.970
High resolution limit [Å]	1.940	5.260	1.940
Rmerge	0.122	0.063	0.809
Rmeas	0.132	0.069	0.881
Rpim	0.050	0.027	0.344
Total number of observations	231392
Number of reflections	33334
<I/σ(I)>	7.9
Completeness [%]	99.7	98.7	98.8
Redundancy	6.9	6.5	6.3
CC(1/2)		0.994	0.662

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		289	Ammonium sulfate, acetone, Sodium phosphate