3ZXI

Crystal structure of human mitochondrial tyrosyl-tRNA synthetase in complex with a tyrosyl-adenylate analog

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	CCD
Collection date	2006-09-16
Detector	ADSC CCD
Spacegroup name	P 21 21 21
Unit cell lengths	53.140, 62.870, 196.320
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.937 - 2.750
R-factor	0.2277
Rwork	0.224
R-free	0.30670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2pid
RMSD bond length	0.008
RMSD bond angle	1.057
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	AMoRE
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.850
High resolution limit [Å]	2.750	2.750
Rmerge	0.090	0.730
Number of reflections	16741
<I/σ(I)>	11.2	2.46
Completeness [%]	93.8	94.2
Redundancy	5.9	4.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	THE PROTEIN (20 MG/ML STOCK SOLUTION) WAS CRYSTALLIZED AT 293K BY VAPOR DIFFUSION (SITTING DROP) WITH A RESERVOIR SOLUTION CONTAINING 30% (M/V) PEG-4000, 0.1 M NA ACETATE PH 4.6, 0.2 M NH4 ACETATE, 0.1 M TRIS-HCL PH 7.5, 1.2 M NA MALONATE.