3LK7

The Crystal Structure of UDP-N-acetylmuramoylalanine-D-glutamate (MurD) ligase from Streptococcus agalactiae to 1.5A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2009-07-07
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9794
Spacegroup name	C 1 2 1
Unit cell lengths	161.539, 65.045, 52.889
Unit cell angles	90.00, 107.52, 90.00

Refinement procedure

Resolution	50.000 - 1.500
R-factor	0.188
Rwork	0.187
R-free	0.20800
RMSD bond length	0.011
RMSD bond angle	1.342
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELX
Refinement software	REFMAC (refmac_5.5.0102)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.550
High resolution limit [Å]	1.500	3.230	1.500
Rmerge	0.084	0.065	0.473
Number of reflections	83028
<I/σ(I)>	9.7
Completeness [%]	99.5	96.3	99.4
Redundancy	3.7	3.5	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	277	25% PEG 3350, 0.1M Tris pH 8.5, 0.2M Ammonium sulfate, VAPOR DIFFUSION, SITTING DROP, temperature 277K