4EG1

Trypanosoma brucei methionyl-tRNA synthetase in complex with substrate Methionine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	CCD
Collection date	2010-10-08
Detector	RIGAKU SATURN 944
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	85.037, 105.935, 207.180
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.900
R-factor	0.21078
Rwork	0.209
R-free	0.25393
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3kfl
RMSD bond length	0.008
RMSD bond angle	1.158
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER (2.1.4)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.000
High resolution limit [Å]	2.900	6.240	2.900
Rmerge	0.144	0.054	0.726
Number of reflections	42449
<I/σ(I)>	6.3
Completeness [%]	99.9	98.7	100
Redundancy	6.1	6.7	5.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	2.0 to 2.3M ammonium sulfate, 0.2M sodium chloride and 0.1M sodium cacodylate pH 6.0 to 6.6, vapor diffusion, sitting drop, temperature 298K