3VQW

Crystal structure of the SeMet substituted catalytic domain of pyrrolysyl-tRNA synthetase

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B1
Synchrotron site	SPring-8
Beamline	BL26B1
Temperature [K]	100
Detector technology	CCD
Collection date	2004-03-04
Detector	RIGAKU JUPITER 210
Wavelength(s)	0.9791, 0.9794, 0.9840
Spacegroup name	P 64
Unit cell lengths	105.091, 105.091, 70.629
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.160 - 2.400
R-factor	0.2
Rwork	0.200
R-free	0.27000
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.600
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.440
High resolution limit [Å]	2.400	2.400
Number of reflections	17400
Completeness [%]	99.3	96.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.8	293	Na/Cacodylate, NaCl, MgSO4, PEG4000, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K