2G36

Crystal structure of Tryptophanyl-tRNA synthetase (EC 6.1.1.2) (Tryptophan-tRNA ligase)(TrpRS) (tm0492) from THERMOTOGA MARITIMA at 2.50 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2005-12-15
Detector	ADSC QUANTUM 315
Wavelength(s)	1.00
Spacegroup name	C 2 2 21
Unit cell lengths	122.890, 152.730, 53.070
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.640 - 2.500
R-factor	0.19724
Rwork	0.194
R-free	0.25600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1yi8B
RMSD bond length	0.013
RMSD bond angle	1.603
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.640	29.640	2.590
High resolution limit [Å]	2.500	4.260	2.500
Rmerge	0.078	0.040	0.470
Number of reflections	17636	3262	2773
<I/σ(I)>	8.82	16.7	2.1
Completeness [%]	91.4		97.9
Redundancy	1.93		1.86

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION,SITTING DROP,NANODROP	6.5	277	12.5% PEG-3000, 0.25M MgCl2, 0.1M Cacodylate pH 6.5, VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 277K