3AFH

Crystal structure of Thermotoga maritima nondiscriminating glutamyl-tRNA synthetase in complex with a glutamyl-AMP analog

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]	95
Detector technology	CCD
Collection date	2008-11-04
Detector	ADSC QUANTUM 210r
Wavelength(s)	1.0
Spacegroup name	P 21 21 2
Unit cell lengths	68.624, 207.317, 39.495
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.500 - 2.000
R-factor	0.186
Rwork	0.186
R-free	0.23500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2o5r
RMSD bond length	0.008
RMSD bond angle	1.200
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	CNS (1.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.070
High resolution limit [Å]	2.000	2.000
Total number of observations	240286
Number of reflections	37578
<I/σ(I)>	17.9	2.2
Completeness [%]	95.7	72
Redundancy	6.4	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	2.25mM MgCl2, 4.5mM 2-mercaptoethanol, 22.5mM NaCl, 3% D-sorbitol, 45mM HEPES-NaOH buffer (pH 7.5), 3.6% ethylene glycol, 6.75% PEG 8000, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K