1I6L

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X12C
Synchrotron site	NSLS
Beamline	X12C
Temperature [K]	100
Detector technology	CCD
Collection date	1999-04-01
Detector	BRANDEIS
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	20.000 - 1.720
R-factor	0.2 *
Rwork	0.209
R-free	0.24100
Structure solution method	SAD
RMSD bond length	0.019
RMSD bond angle	1.409
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]	50.000	1.800
High resolution limit [Å]	1.720	1.720
Rmerge	0.078 *	0.571 *
Total number of observations	1045314 *
Number of reflections	51522
<I/σ(I)>	8.1
Completeness [%]	95.7	68.8
Redundancy	5.15 *

Crystallization Conditions

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