3HIJ

Crystal structure of dihydrodipicolinate synthase from Bacillus anthracis in complex with its substrate, pyruvate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	110
Detector technology	CCD
Collection date	2008-08-15
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.9536439
Spacegroup name	P 21 21 21
Unit cell lengths	84.484, 124.617, 130.979
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.270 - 2.150
R-factor	0.15507
Rwork	0.153
R-free	0.20997
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.024
RMSD bond angle	1.871
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.270	2.270
High resolution limit [Å]	2.150	2.150
Number of reflections	75883
Completeness [%]	100.0	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	hanging drop vapor diffusion, crystal soak	8	277	20% PEG 3350, 0.1 M bis-tris propane, 0.2 M NaF, pH 8.0, hanging drop vapor diffusion, crystal soak, temperature 277K