1I6K

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)	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	19.940 - 1.720
R-factor	0.211 *
Rwork	0.233
R-free	0.26800
Structure solution method	MULTIPLE ANOMALOUS Dispersion
RMSD bond length	0.021 *
RMSD bond angle	1.418 *
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
High resolution limit [Å]	1.720
Rmerge	0.083 *	0.354 *
Total number of observations	546675 *
Number of reflections	46732 *
<I/σ(I)>	6.1
Completeness [%]	94.5	80.9 *
Redundancy	2.43 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICRODIALYSIS	7.6	310	POTASSIUM PHOSPHATE, AMMONIUM SULFATE, MAGNESIUM CHLORIDE, PEG 400, pH 7.60, MICRODIALYSIS, temperature 310K

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)