2J0X

CRYSTAL STRUCTURE OF E. COLI ASPARTOKINASE III IN COMPLEX WITH LYSINE AND ASPARTATE (T-STATE)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2002-03-03
Detector	ADSC CCD
Spacegroup name	P 21 21 2
Unit cell lengths	171.750, 148.020, 42.890
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.730 - 2.800
R-factor	0.215
Rwork	0.215
R-free	0.28300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	LOWER RESOLUTION (3A) STRUCTURE DETERMINED BY MAD PHASING
RMSD bond length	0.007
RMSD bond angle	1.300
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.100	0.470
Number of reflections	26519
<I/σ(I)>	13.9	2.3
Completeness [%]	94.8	87.5
Redundancy	5	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7		0.2M NA2 TARTRATE, 16-18% PEG3350, 0.1M TRIS PH 7.0, 2% MPD:ETHYLENE GLYCOL (1:1)