1OH9

Acetylglutamate kinase from Escherichia coli complexed with MgADP, N-acetyl-L-glutamate and the transition-state mimic AlF4-

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE BW7B
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	BW7B
Temperature [K]	100
Detector technology	CCD
Collection date	2000-04-04
Detector	MARRESEARCH
Spacegroup name	C 2 2 21
Unit cell lengths	59.457, 72.220, 107.214
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 1.910
R-factor	0.1858
Rwork	0.186
R-free	0.22920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1gs5
RMSD bond length	0.005
RMSD bond angle	1.250 *
Data reduction software	MOSFLM
Data scaling software	SCALA
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.020	2.020
High resolution limit [Å]	1.910	1.910
Rmerge	0.037	0.144
Total number of observations	89855 *
Number of reflections	18025
<I/σ(I)>	14.9	5.3
Completeness [%]	99.0	95
Redundancy	5	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	4.6		27-29% POLYETHYLENE GLYCOL MONOMETHYL ETHER 2K, SODIUM ACETATE 0.1M PH 4.6 AMMONIUM CITRATE 0.25-0.4 M

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG2000	27-29 (%(w/v))
2	1	reservoir	sodium acetate	0.1 (M)	pH4.6
3	1	reservoir	ammonium citrate	0.25-0.4 (M)
4	1	drop	protein	10 (mg/ml)