5XIL

Crystal Structure of Leishmania major Prolyl-tRNA Synthetase (LmPRS)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	2015-10-04
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.289
Spacegroup name	C 2 2 21
Unit cell lengths	75.294, 98.861, 146.327
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.990 - 1.900
R-factor	0.18237
Rwork	0.179
R-free	0.20060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4twa
RMSD bond length	0.019
RMSD bond angle	1.824
Data reduction software	MxCuBE
Data scaling software	HKL-2000
Phasing software	SHELX
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.930
High resolution limit [Å]	1.900	5.160	1.900
Rmerge	0.050	0.018	0.414
Rmeas	0.055	0.020	0.450
Rpim	0.021	0.008	0.176
Total number of observations	270270
Number of reflections	43411		2155
<I/σ(I)>	13.9
Completeness [%]	100.0	99.3	100
Redundancy	6.2	5.9	6.2
CC(1/2)		0.995	0.934

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.2M Magnesium acetate and 20%(w/v) PEG 3,350