4PYT

Crystal structure of a MurB family EP-UDP-N-acetylglucosamine reductase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2011-10-10
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97872
Spacegroup name	H 3 2
Unit cell lengths	106.786, 106.786, 201.085
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.167 - 1.853
R-factor	0.205
Rwork	0.204
R-free	0.22710
Structure solution method	PDB ENTRY 3TX1
RMSD bond length	0.007
RMSD bond angle	1.417
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	10000.000	10000.000	1.880
High resolution limit [Å]	1.850	5.020	1.850
Rmerge	0.092	0.065	0.860
Number of reflections	37611
<I/σ(I)>	10.2
Completeness [%]	99.8	99.2	98.4
Redundancy	6.9	7.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	277	Final crystallization conditions contained 1.5 micro l reservoir solution (0.5M MgCl2, 0.1M Tris pH 8.5 and 20% PEG 8000) and 1.5 micro L of 8.0 mg/ml LucY in 150mM NaCl, 50mM Tris pH 7.5.. Crystals were cryoprotected by transferring into Mitegen s LV CryoOil (MiTeGen, LLC) prior to mounting and were flash-frozen in liquid nitrogen. , VAPOR DIFFUSION, HANGING DROP, temperature 277K