1GSJ

Selenomethionine substituted N-acetyl-L-glutamate kinase from Escherichia coli complexed with its substrate n-acetyl-L-glutamate and its substrate analog AMPPNP

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X31
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X31
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1999-03-15
Detector	MAR scanner 345 mm plate
Wavelength(s)	0.94, 0.9765, 0.9770
Spacegroup name	C 2 2 21
Unit cell lengths	59.564, 72.332, 107.418
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.880 * - 1.850
R-factor	0.1987
Rwork	0.199
R-free	0.22690
Structure solution method	MAD
RMSD bond length	0.005 *
RMSD bond angle	1.260 *
Data reduction software	MOSFLM
Data scaling software	SCALA
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.800	1.920
High resolution limit [Å]	1.820	1.820
Rmerge	0.059	0.281
Total number of observations	106899 *
Number of reflections	20642
<I/σ(I)>	11	2.5
Completeness [%]	98.8	97.8
Redundancy	5.2	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		4.6		27-32% PEG MONOMETHYLETHER 2000, 0.1-0.3M AMMONIUM SULFATE, 5% ETHYLENE GLYCOL, 0.1M SODIUM ACETATE PH 4.6