1R6U

Crystal structure of an active fragment of human tryptophanyl-tRNA synthetase with cytokine activity

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	2002-12-22
Detector	ADSC QUANTUM 315
Wavelength(s)	0.91162
Spacegroup name	C 1 2 1
Unit cell lengths	134.658, 96.460, 97.132
Unit cell angles	90.00, 129.90, 90.00

Refinement procedure

Resolution	20.000 * - 2.000
R-factor	0.2548
Rwork	0.254
R-free	0.29750
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007 *
RMSD bond angle	1.300 *
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.038	0.587 *
Number of reflections	64590 *
<I/σ(I)>	34.7
Completeness [%]	99.5	99.6 *
Redundancy	7.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5 *	4 *	PEG MME 550, Hepes, pH 7.02, 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	beta-mercaptoethanol	2 (mM)