1GG4

CRYSTAL STRUCTURE OF ESCHERICHIA COLI UDPMURNAC-TRIPEPTIDE D-ALANYL-D-ALANINE-ADDING ENZYME (MURF) AT 2.3 ANGSTROM RESOLUTION

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	CCD
Collection date	1999-08-11
Detector	MARRESEARCH
Spacegroup name	P 61
Unit cell lengths	74.200, 74.200, 429.300
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	8.000 - 2.300
Rwork	0.203
R-free	0.28200 *
RMSD bond length	0.010
RMSD bond angle	1.860
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	8.000	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.065	0.338
Total number of observations	545211 *
Number of reflections	47573 *
Completeness [%]	82.0	54

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.4 *	4 *	PEG 8000, magnesium sulfate, glycerol, pH 9.4, EVAPORATION, temperature 278K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	13 (mg/ml)
2	1	drop	Tris-HCl	10 (mM)
3	1	drop	dithiothreitol	10 (mM)
4	1	reservoir	PEG8000	16 (%(w/v))
5	1	reservoir	bis-Tris	0.1 (M)
6	1	reservoir		0.12 (M)
7	1	reservoir	glycerol	10 (%(w/v))