4QRE

Structure of Methionyl-tRNA Synthetase in complex with 1-(4-{4-[(1H-benzimidazol-2-ylmethyl)amino]-6-(4,5-dimethoxy-2-methylphenoxy)pyrimidin-2-yl}piperazin-1-yl)ethanone

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2007-04-12
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	64.932, 75.672, 119.160
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	21.450 - 1.700
R-factor	0.2042
Rwork	0.202
R-free	0.23950
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.791
Data reduction software	MOSFLM (3.2.17)
Data scaling software	SCALEPACK
Phasing software	PHASER (1.3.2)
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	21.500	2.680	1.780
High resolution limit [Å]	1.700	2.400	1.700
Number of reflections	58516
Completeness [%]	94.5	97.1	94.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.9	295	PEG3350, Tris pH 7.9, ethylene glycol, VAPOR DIFFUSION, HANGING DROP, temperature 295K