3NEL

Aspartyl-tRNA synthetase complexed with aspartic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LURE BEAMLINE DW32
Synchrotron site	LURE
Beamline	DW32
Temperature [K]	120
Detector technology	IMAGE PLATE
Collection date	1997-03-12
Detector	MAR scanner 345 mm plate
Wavelength(s)	0.98
Spacegroup name	P 21 21 2
Unit cell lengths	124.956, 125.488, 87.634
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.033 - 1.954
R-factor	0.204
Rwork	0.204
R-free	0.23600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB enry 1ASZ
RMSD bond length	0.007
RMSD bond angle	1.360
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	24.042	2.000	1.976
High resolution limit [Å]	1.954	1.976	1.954
Number of reflections	98902
Completeness [%]	98.7	93	58
Redundancy	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		297	peg and ethylen glycol, VAPOR DIFFUSION, HANGING DROP, temperature 297K