4FHA

Structure of Dihydrodipicolinate Synthase from Streptococcus pneumoniae,bound to pyruvate and lysine

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	2008-10-05
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.95371
Spacegroup name	P 2 21 21
Unit cell lengths	60.381, 106.368, 106.232
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.910 - 1.880
R-factor	0.1599
Rwork	0.159
R-free	0.18290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3H5D
RMSD bond length	0.005
RMSD bond angle	0.997
Data reduction software	XDS
Data scaling software	SCALA (3.3.20)
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	75.180	47.557	1.980
High resolution limit [Å]	1.880	5.940	1.880
Rmerge		0.042	0.340
Total number of observations		24325	59801
Number of reflections	55338
<I/σ(I)>	27.3	15.1	2.2
Completeness [%]	98.0	98.7	86.7
Redundancy	13.7	12.5	8.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	0.2 M sodium fluoride, 0.1 M bis-tris propane, 20% (w/v) PEG 3350, 5% (w/v) 1,4-dioxane, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K