1EEH

UDP-N-ACETYLMURAMOYL-L-ALANINE:D-GLUTAMATE LIGASE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM02
Synchrotron site	ESRF
Beamline	BM02
Temperature [K]	100
Detector technology	CCD
Collection date	1997-09-01
Detector	XRII-CCD
Spacegroup name	P 21 21 21
Unit cell lengths	58.840, 63.280, 114.910
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	13.000 - 1.900
R-factor	0.219 *
Rwork	0.219
R-free	0.26500
RMSD bond length	0.009
RMSD bond angle	23.600 *
Data reduction software	XDS
Data scaling software	XDS
Phasing software	AMoRE
Refinement software	CNS (0.9)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	13.392	1.940
High resolution limit [Å]	1.878	1.880
Rmerge	0.040 *	0.164 *
Number of reflections	31255
<I/σ(I)>	13	3.3
Completeness [%]	87.7	49.1
Redundancy	2.5	1.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5 *	15 *	PROTEIN SOLUTION: 9.8 mg/ml MURD, 1 mM UMA, 1 mM Sodium Azide, 1 mM DTT, 20 mM HEPES pH 7.5 RESEVOIR: 5-9 % PEG 3350 Monodisperse, 100 mM sodium Acetate pH 5.2, VAPOR DIFFUSION, HANGING DROP, temperature 288K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	MurD	9.8 (mg/ml)
2	1	drop	UMA	1 (mM)
3	1	drop		1 (mM)
4	1	drop	dithiothreitol	1 (mM)
5	1	drop	HEPES	20 (mM)
6	1	reservoir	PEG3350 monodisperse	5-9 (%(w/v))
7	1	reservoir	sodium acetate	100 (mM)