1JJC

Crystal structure at 2.6A resolution of phenylalanyl-tRNA synthetase complexed with phenylalanyl-adenylate in the presence of manganese

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X12C
Synchrotron site	NSLS
Beamline	X12C
Temperature [K]	100
Detector technology	CCD
Collection date	2000-02-17
Detector	BRANDEIS
Wavelength(s)	0.9800
Spacegroup name	P 32 2 1
Unit cell lengths	173.400, 173.400, 138.400
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 2.600
R-factor	0.216 *
Rwork	0.216
R-free	0.25800
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1pys
RMSD bond length	0.011
RMSD bond angle	1.760
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.600
Rmerge	0.079
Total number of observations	405589 *
Number of reflections	75189
<I/σ(I)>	15.8
Completeness [%]	94.7	81.7 *
Redundancy	5.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.8	277	(NH4)2SO4, Imidazole-HCl, ATP, L-phenylalanine, MnSO4, pH 7.8, VAPOR DIFFUSION, HANGING DROP at 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	ammonium sulfate	27 (%sat)