3KT3

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

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	251.759, 251.759, 111.102
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.940 - 2.600
R-factor	0.21535
Rwork	0.214
R-free	0.23672
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3kt0
RMSD bond length	0.006
RMSD bond angle	1.004
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	2.690
High resolution limit [Å]	2.600	5.600	2.600
Rmerge	0.056	0.032	0.344
Number of reflections	118348
<I/σ(I)>	22.5
Completeness [%]	96.3	99.8	83.4
Redundancy	4.5	6.2	2.3

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