1PFY

METHIONYL-TRNA SYNTHETASE FROM ESCHERICHIA COLI COMPLEXED WITH METHIONYL SULPHAMOYL ADENOSINE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LURE BEAMLINE DW32
Synchrotron site	LURE
Beamline	DW32
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2002-02-26
Detector	MARRESEARCH
Wavelength(s)	0.967
Spacegroup name	P 1 21 1
Unit cell lengths	78.803, 45.193, 86.412
Unit cell angles	90.00, 107.31, 90.00

Refinement procedure

Resolution	47.000 - 1.930
R-factor	0.188
Rwork	0.188
R-free	0.22400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1qqt
RMSD bond length	0.006
RMSD bond angle	1.180
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.000	1.980
High resolution limit [Å]	1.930	1.930
Rmerge	0.072 *	0.317 *
Number of reflections	43035 *
<I/σ(I)>	7.5	2.4
Completeness [%]	98.0	97.7
Redundancy	2.2	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	7	280	Mechulam, Y., (1999) J. Mol. Biol., 294, 1287. *