1R6T

crystal structure of human tryptophanyl-tRNA synthetase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2002-12-21
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97941
Spacegroup name	C 1 2 1
Unit cell lengths	152.146, 95.713, 98.506
Unit cell angles	90.00, 91.62, 90.00

Refinement procedure

Resolution	20.000 - 2.100
R-factor	0.2082
Rwork	0.208
R-free	0.23860
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	1.200
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.170
High resolution limit [Å]	2.100	2.100
Rmerge	0.099	0.614 *
Number of reflections	82479 *
<I/σ(I)>	13.87
Completeness [%]	96.5 *	87.3
Redundancy	6.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5 *	4 *	PEG 8K, Mes, pH 6.32, VAPOR DIFFUSION, SITTING DROP, temperature 279K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG8000	2 (%)
2	1	reservoir	sodium-MES	0.1 (M)	pH6.32
3	1	drop	HEPES	10 (mM)	pH7.5
4	1	drop		20 (mM)
5	1	drop		0.02 (%)
6	1	drop	2-mercaptoethanol	2 (mM)