7KWF

Dihydrodipicolinate synthase (DHDPS) from C.jejuni, H56N 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	2019-07-25
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9795
Spacegroup name	C 2 2 21
Unit cell lengths	85.260, 226.720, 201.530
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.400 - 2.820
R-factor	0.2778
Rwork	0.275
R-free	0.33360
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]	49.400	2.921
High resolution limit [Å]	2.820	2.820
Rmerge		1.437
Number of reflections	47346	4658
<I/σ(I)>	3
Completeness [%]	99.6	99.59
Redundancy	15
CC(1/2)	0.869

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH		288.15	0.3 M Magnesium acetate, 12 % PEG 8000, 0.1 M Sodium acetate (pH 7.4), 120 mM R,R-bislysine