1MAU

Crystal structure of Tryptophanyl-tRNA Synthetase Complexed with ATP and Tryptophanamide in a Pre-Transition state Conformation

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 43 21 2
Unit cell lengths	62.133, 62.133, 217.807
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.150
R-factor	0.212
Rwork	0.208
R-free	0.24400 *
Structure solution method	SIR
Starting model (for MR)	1m83
RMSD bond length	0.006
RMSD bond angle	0.975 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHARP
Refinement software	BUSTER-TNT

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.079 *	0.320 *
Total number of observations	335452 *
Number of reflections	23318
<I/σ(I)>	16	2.8
Completeness [%]	90.5	77.5
Redundancy	5.5	2.75

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICRODIALYSIS	7.5	35 *	sodium citrate, magnesium chloride, sodium ATP , l-tryptophanamide, pH 7.5, 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	1	potassium phosphate	0.6 (M)
3	1	1	glycerol	50 (%(v/v))
4	1	2	sodium citrate	1 (M)
5	1	2	ATP	10 (mM)
6	1	2		10 (mM)
7	1	2	tryptophanamide	50000 (mM)