3VFL

Structure, Function, Stability and Knockout Phenotype of Dihydrodipicolinate Synthase from Streptococcus pneumoniae

Replaces:  3H5D

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	CCD
Collection date	2008-05-16
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.954
Spacegroup name	P 2 21 21
Unit cell lengths	62.357, 105.332, 105.510
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.830 - 1.910
R-factor	0.16779
Rwork	0.165
R-free	0.21241
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3hij
RMSD bond length	0.020
RMSD bond angle	2.417
Data scaling software	XSCALE
Phasing software	PHASER (2.3.0)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	74.550	74.540	2.030
High resolution limit [Å]	1.910	5.710	1.910
Rmerge	0.061	0.022	0.537
Number of reflections	54089
<I/σ(I)>	35.73	105.4	4.67
Completeness [%]	99.6	99.3	97.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	0.2M ammonium chloride, 20% (w/v) PEG 6000, 0.1M MES pH 6.0, vapor diffusion, hanging drop, temperature 293K