7KLS

Dihydrodipicolinate synthase (DHDPS) from C.jejuni, H59A mutant with pyruvate bound in the active site and L-lysine 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	2017-10-07
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9795
Spacegroup name	C 2 2 21
Unit cell lengths	85.080, 231.290, 201.540
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.700 - 2.590
R-factor	0.2129
Rwork	0.211
R-free	0.25320
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]	49.700	2.683
High resolution limit [Å]	2.590	2.590
Rmerge		0.825
Number of reflections	61928	6134
<I/σ(I)>	8.67
Completeness [%]	99.5	99.68
Redundancy	15
CC(1/2)	0.992

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	7.4	288.15	0.9 M Magnesium acetate, 8 % PEG8000, 0.1 M Sodium acetate (pH 7.4), 60 mM L-Lysine