3PCO

crystal structure of E. coli phenylalanine-tRNA synthetase complexed with phenylalanine and AMP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2009-10-12
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97620
Spacegroup name	P 21 21 21
Unit cell lengths	65.547, 178.936, 254.417
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.710 - 3.020
R-factor	0.2352
Rwork	0.232
R-free	0.29980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	code 1PYS
RMSD bond length	0.014
RMSD bond angle	1.811
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	38.710	40.000	3.110
High resolution limit [Å]	3.000	6.460	3.000
Rmerge	0.112	0.054	0.808
Number of reflections	58932
<I/σ(I)>	6.6
Completeness [%]	99.2	97.5	98.3
Redundancy	4.4	4.2	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	17%-20% PEG 8000K, 0.2 M MgCl2, 0.1 M Tris, VAPOR DIFFUSION, HANGING DROP, temperature 293K, pH 8.5