1I6M

1.7 HIGH RESOLUTION EXPERIMENTAL PHASES FOR TRYPTOPHANYL-TRNA SYNTHETASE COMPLEXED WITH TRYPTOPHANYL-5'AMP

Experimental procedure

Experimental method	MULTIPLE WAVELENGTHS
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X12C
Synchrotron site	NSLS
Beamline	X12C
Temperature [K]	100
Detector technology	CCD
Collection date	1998-06-01
Detector	BRANDEIS - B4
Wavelength(s)	1.0, 0.978, 0.979, 0.985
Spacegroup name	P 43 21 2
Unit cell lengths	59.770, 59.770, 232.650
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	13.000 - 1.720
R-factor	0.209 *
Rwork	0.225
R-free	0.25700
Structure solution method	MIRAS
RMSD bond length	0.020
RMSD bond angle	1.492
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	1.780
High resolution limit [Å]	1.720	1.720
Rmerge	0.042 *	0.315 *
Total number of observations	332053 *
Number of reflections	45713
<I/σ(I)>	15.9	3.1
Completeness [%]	83.4	75.7
Redundancy	4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICRODIALYSIS	7.6	310	POTASSIUM PHOSPHATE, AMMONIUM SULFATE, MAGNESIUM SULFATE, pH 7.60, MICRODIALYSIS, temperature 310.0K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	tryptophan	2 (mM)
2	1	1	ATP	10 (mM)
3	1	1	magnesium	10 (mM)
4	1	2	potassium phosphate	2.0 (M)