3KFL

Leishmania major methionyl-tRNA synthetase in complex with methionyladenylate and pyrophosphate

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	2009-04-23
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97923
Spacegroup name	P 21 21 21
Unit cell lengths	68.816, 88.802, 101.779
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.160 - 2.000
R-factor	0.17033
Rwork	0.168
R-free	0.20871
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2csx
RMSD bond length	0.010
RMSD bond angle	1.197
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	BALBES
Refinement software	REFMAC (refmac_5.5.0096)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.079	0.699
Number of reflections	42546
<I/σ(I)>	8.6	1.8
Completeness [%]	100.0	100
Redundancy	5.3	5.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	2 microliters 24.44 mg/ml protein soln. [in 25 mM HEPES (pH 7.0), 500 mM NaCl, 0.025% Na-azide, 5% glycerol, 0.01 mM ZnCl2, 10 mM L-Met, 10 mM ATP] + 2 microliters well soln. [0.2 M K-formate, 26% PEG 3350 and additives of 10 mM L-Met and 1 mM TCEP]; crystal cryoprotected by quick soak in mother liquor supplemented with 15% ethylene glycol, vapor diffusion, hanging drop, temperature 298K