1GS5

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

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	2000-05-15
Detector	MARRESEARCH
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	53.710 * - 1.500
R-factor	0.2088 *
Rwork	0.209
R-free	0.21280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1gsj
RMSD bond length	0.012 *
RMSD bond angle	2.080 *
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	53.710	1.580
High resolution limit [Å]	1.500	1.500
Rmerge	0.042 *	0.349 *
Total number of observations	196777 *
Number of reflections	37500 *
<I/σ(I)>	9.2	2.1
Completeness [%]	99.9	99.8
Redundancy	5.2	4.7

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