3KT6

Crystal structure of S. cerevisiae tryptophanyl-tRNA synthetase in complex with Trp

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NW12A
Synchrotron site	Photon Factory
Beamline	AR-NW12A
Temperature [K]	100
Detector technology	CCD
Collection date	2008-11-23
Detector	ADSC QUANTUM 210r
Wavelength(s)	1.0000
Spacegroup name	P 61
Unit cell lengths	252.655, 252.655, 111.805
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.750 - 2.800
R-factor	0.21769
Rwork	0.216
R-free	0.24665
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3kt0
RMSD bond length	0.007
RMSD bond angle	0.943
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.900
High resolution limit [Å]	2.800	6.030	2.800
Rmerge	0.086	0.048	0.363
Number of reflections	99766
<I/σ(I)>	16.9
Completeness [%]	99.6	99.8	98.7
Redundancy	6.7	8.8	5.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.9	277	0.1M HEPES, 2.2M (NH4)2SO4, pH 5.9, VAPOR DIFFUSION, HANGING DROP, temperature 277K