3LGX

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	CCD
Collection date	2009-11-05
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9793
Spacegroup name	P 41 21 2
Unit cell lengths	174.410, 174.410, 176.065
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.600
R-factor	0.221
Rwork	0.218
R-free	0.27600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3l8c
RMSD bond length	0.015
RMSD bond angle	1.582
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.700
High resolution limit [Å]	2.600	7.190	2.650
Rmerge	0.102	0.042	0.826
Number of reflections	149144
<I/σ(I)>	7.1
Completeness [%]	99.7	95.2	100
Redundancy	4.2	4.1	4.2

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
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