5V49

Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor (Chem 1917)

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	2015-04-28
Detector	PSI PILATUS 6M
Wavelength(s)	0.98
Spacegroup name	P 21 21 21
Unit cell lengths	87.190, 106.200, 207.520
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	103.760 - 2.300
R-factor	0.20642
Rwork	0.205
R-free	0.22849
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.347
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall
Low resolution limit [Å]	103.760
High resolution limit [Å]	2.300
Rmerge	0.169
Number of reflections	86365
<I/σ(I)>	8.1
Completeness [%]	100.0
Redundancy	7.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	2.0 M ammonium sulfate, 0.2 M sodium chloride, 0.1 M sodium cacodylate, pH 6.2, VAPOR DIFFUSION, SITTING DROP, temperature 298K