3P0I

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

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	2010-03-19
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97908
Spacegroup name	I 2 3
Unit cell lengths	241.400, 241.400, 241.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	85.350 - 3.130
R-factor	0.2409
Rwork	0.239
R-free	0.26790
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	3p0h
RMSD bond length	0.010
RMSD bond angle	1.162
Data reduction software	MOSFLM
Data scaling software	SCALA (CCP4_3.3.16)
Phasing software	REFMAC
Refinement software	REFMAC (refmac_5.5.0110)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	85.350	85.350	3.300
High resolution limit [Å]	3.130	9.890	3.130
Rmerge	0.182	0.014	0.014
Number of reflections	41253
<I/σ(I)>	7.3331
Completeness [%]	99.9	99.52	99.82
Redundancy	7.98	8.26	6.96

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	equal volumes SeMet protein solution (24 mg/ml LmTyrRS in MSGPP buffer containing 5 mM DTT and 10 mM tyrosinol) and well solution (25% PEG 3350, 0.1 M tri-sodium citrate pH 5.5, 10 mM Ferric III Chloride); cryoprotected by addition of 26% PEG 3350, 8% MSGPP buffer, 8% ethylene glycol, 20% glycerol and 0.09 M tri-sodium citrate pH 5.5 directly to drop prior to mounting and freezing crystals in liquid nitrogen, VAPOR DIFFUSION, SITTING DROP, temperature 277K