7KWN

Dihydrodipicolinate synthase from C. jejuni with pyruvate bound to the active site in C2221 space group

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-10-31
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9795
Spacegroup name	C 2 2 21
Unit cell lengths	83.990, 230.190, 200.140
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.890 - 2.240
R-factor	0.1792
Rwork	0.177
R-free	0.21620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ly8
Data reduction software	HKL-3000
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.890	2.320
High resolution limit [Å]	2.240	2.240
Rmerge		0.247
Number of reflections	93275	9191
<I/σ(I)>	11.2
Completeness [%]	99.9	99.51
Redundancy	15
CC(1/2)	0.990

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	7.4	288.15	0.3 M Magnesium acetate, 8 % PEG 8000, 0.1 M Sodium acetate (pH 7.4)