6CML

Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor (Chem 2093)

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	PIXEL
Collection date	2016-06-02
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.98
Spacegroup name	P 21 21 21
Unit cell lengths	87.640, 106.230, 208.280
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	104.140 - 2.700
R-factor	0.205
Rwork	0.204
R-free	0.23100
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.376
Data reduction software	Aimless
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall
Low resolution limit [Å]	104.140
High resolution limit [Å]	2.700
Rmerge	0.200
Number of reflections	54250
<I/σ(I)>	6.8
Completeness [%]	100.0
Redundancy	6.6

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