4DPP

The structure of dihydrodipicolinate synthase 2 from Arabidopsis thaliana

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	95.810, 95.810, 174.770
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.000 - 2.000
R-factor	0.1457
Rwork	0.144
R-free	0.18130
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.018
RMSD bond angle	1.895
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]	37.001	37.001	2.050
High resolution limit [Å]	2.000	8.940	2.000
Rmerge		0.031	0.710
Rmeas		0.033	0.750
Rpim		0.012	0.240
Total number of observations		5952	39173
Number of reflections	55784
<I/σ(I)>	17.4	45.2	3.4
Completeness [%]	100.0	98.2	100
Redundancy	9.6	8.1	9.7

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