7KKD

Dihydrodipicolinate synthase (DHDPS) from C.jejuni, N84A mutant with pyruvate bound in the active site and R,R-bislysine bound at the allosteric site

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	2019-02-09
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9795
Spacegroup name	C 2 2 21
Unit cell lengths	84.550, 225.540, 199.980
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.110 - 1.600
R-factor	0.1541
Rwork	0.153
R-free	0.18180
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]	49.110	1.660
High resolution limit [Å]	1.600	1.600
Rmerge		0.940
Number of reflections	228412	12292
<I/σ(I)>	16.4	6.1
Completeness [%]	91.9	49.85
Redundancy	15
CC(1/2)	0.990

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	7.4	288.15	0.1 M Magnesium acetate, 12 % PEG8000, 0.1 M Sodium acetate (pH 7.4), 120 mM R,R-BisLysine