5USF

Leishmania donovani tyrosyl-tRNA synthetase in complex with nanobody and inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-07-27
Detector	PSI PILATUS 6M
Wavelength(s)	0.98
Spacegroup name	P 65
Unit cell lengths	96.180, 96.180, 351.830
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	83.290 - 2.750
R-factor	0.19144
Rwork	0.189
R-free	0.24353
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3p0j
RMSD bond length	0.010
RMSD bond angle	1.438
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall
Low resolution limit [Å]	83.290
High resolution limit [Å]	2.750
Rmerge	0.210
Number of reflections	47547
<I/σ(I)>	8.7
Completeness [%]	100.0
Redundancy	10.3
CC(1/2)	0.995

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.7	298	0.1 M sodium cacodylate pH 5.7, 22% PEG 4,000, vapor diffusion, sitting drop, temperature 298