3L8C

Structure of probable D-alanine--poly(phosphoribitol) ligase subunit-1 from Streptococcus pyogenes

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2009-10-30
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9793
Spacegroup name	P 21 21 2
Unit cell lengths	89.024, 153.736, 84.794
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.760 - 2.410
R-factor	0.22
Rwork	0.217
R-free	0.27500
Structure solution method	SAD
RMSD bond length	0.015
RMSD bond angle	1.512
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.440
High resolution limit [Å]	2.400	6.510	2.400
Rmerge	0.104	0.053	0.707
Number of reflections	45876
<I/σ(I)>	8.7
Completeness [%]	99.9	98.3	100
Redundancy	7.7	6.7	7.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	298	0.1 M Bis-Tris pH 5.5, 25% PEG 3350, Vapor diffusion, Sitting drop, temperature 298K