3P0J

Leishmania major Tyrosyl-tRNA synthetase in complex with tyrosinol, triclinic crystal form 1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2009-06-18
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97946
Spacegroup name	P 1
Unit cell lengths	57.519, 111.934, 141.043
Unit cell angles	74.47, 80.83, 77.13

Refinement procedure

Resolution	50.000 - 2.890
R-factor	0.2462
Rwork	0.244
R-free	0.29300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3p0h
RMSD bond length	0.008
RMSD bond angle	1.050
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER (2.1.4)
Refinement software	REFMAC (refmac_5.5.0110)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	135.130	3.000
High resolution limit [Å]	2.890	2.890
Rmerge	0.084	0.000
Number of reflections	72441
<I/σ(I)>	14.118	1.063
Completeness [%]	98.6	97.9
Redundancy	3.6	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	1:1:0.5 native protein solution (14 mg/ml LmTyrRS in MSGPP buffer containing 1 mM TCEP and 10 mM tyrosinol): well solutionn (16% PEG 3350, 0.2 M potassium formate pH 7.5): seed stock (1:100 dilution in SGPP buffer); cryoprotected by quick soak in 15% ethylene glycol, 18.75% PEG 3350, 187.5 mM potassium formate pH 7.5, 10mM tyrosinol, VAPOR DIFFUSION, SITTING DROP, temperature 277K