3WQZ

Crystal structure of Archaeoglobus fulgidus alanyl-tRNA synthetase in complex with a tRNA(Ala) variant having A3.U70

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	90
Detector technology	CCD
Collection date	2012-10-14
Detector	RAYONIX MX225HE
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	99.609, 169.676, 176.649
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.738 - 3.489
R-factor	0.2431
Rwork	0.241
R-free	0.27650
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.762
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.630
High resolution limit [Å]	3.489	3.489
Rmerge		0.689
Number of reflections	38839
<I/σ(I)>		2.54
Completeness [%]	99.0	100
Redundancy	6.8	6.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	293	PEG 6000, citrate buffer, CdCl2, MPD, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K