5TQU

Trypanosoma brucei methionyl-tRNA synthetase in complex with 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 21 21 21
Unit cell lengths	87.960, 106.320, 207.590
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	103.790 - 2.600
R-factor	0.21423
Rwork	0.213
R-free	0.24122
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4mw0
RMSD bond length	0.010
RMSD bond angle	1.342
Data reduction software	HKL-2000
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	103.790	2.670
High resolution limit [Å]	2.600	2.600
Number of reflections	60480
<I/σ(I)>	5.5
Completeness [%]	99.7
Redundancy	5.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	1.8-2.1 M AMMONIUM SULFATE, 0.2 M SODIUM CHLORIDE, 0.1 M SODIUM CACODYLATE, PH 6.2-6.8, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 298K