1MB2

Crystal Structure of Tryptophanyl-tRNA Synthetase Complexed with Tryptophan in an Open Conformation

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	298
Detector technology	IMAGE PLATE
Detector	RIGAKU RAXIS II
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	228.730, 92.240, 157.590
Unit cell angles	90.00, 132.71, 90.00

Refinement procedure

Resolution	15.000 * - 2.700
Rwork	0.220
R-free	0.24300 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1d2r
RMSD bond length	0.009
RMSD bond angle	1.020 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.024	2.800
High resolution limit [Å]	2.700 *	2.700
Rmerge	0.079 *
Total number of observations	120955 *
Number of reflections	55705
Completeness [%]	83.1	50.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICRODIALYSIS	6.6	42 *	potassium phosphate, l-tryptophan, pH 6.6, MICRODIALYSIS, temperature 310K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	protein	4 (mg/ml)
2	1	2	potassium phosphate	2 (M)	pH6.6
3	1	2	Trp	2 (mM)