4DPQ

The structure of dihydrodipicolinate synthase 2 from Arabidopsis thaliana in complex with (S)-lysine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	110
Detector technology	CCD
Collection date	2011-10-31
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.95369
Spacegroup name	P 41 21 2
Unit cell lengths	95.480, 95.480, 174.500
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.640 - 2.202
R-factor	0.1413
Rwork	0.139
R-free	0.17660
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.018
RMSD bond angle	1.943
Data reduction software	XDS
Data scaling software	SCALA (3.3.20)
Phasing software	PHASER (2.3.0)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	36.641	36.641	2.260
High resolution limit [Å]	2.202	9.850	2.202
Rmerge		0.039	0.638
Rmeas		0.042	0.692
Rpim		0.016	0.264
Total number of observations		3207	20943
Number of reflections	41684
<I/σ(I)>	13.3	26.9	4.1
Completeness [%]	99.9	97.9	99.4
Redundancy	7.1	5.7	6.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	2.4M sodium malonate, 0.02%(w/v) sodium azide, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K