4YYE

Crystal structure of the yeast mitochondrial threonyl-tRNA synthetase (MST1) in complex with the canonical tRNAThr and threonyl sulfamoyl adenylate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	80
Detector technology	PIXEL
Collection date	2014-08-24
Detector	PSI PILATUS 6M
Wavelength(s)	1.03318
Spacegroup name	P 1
Unit cell lengths	69.021, 77.228, 86.157
Unit cell angles	63.86, 75.04, 89.39

Refinement procedure

Resolution	44.452 - 2.301
R-factor	0.1622
Rwork	0.160
R-free	0.20230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3uh0
RMSD bond length	0.009
RMSD bond angle	1.122
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.340
High resolution limit [Å]	2.300	6.240	2.300
Rmerge	0.103	0.063	0.312
Total number of observations	136098
Number of reflections	60476
<I/σ(I)>	6.3
Completeness [%]	88.9	86.2	90
Redundancy	2.3	2.5	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	285	0.2M lithium sulfate 2.0M ammonium sulfate 0.1M Tris