7KG9

Dihydrodipicolinate synthase (DHDPS) from C.jejuni, H56W 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	CCD
Collection date	2018-10-11
Detector	RAYONIX MX300-HS
Wavelength(s)	0.9795
Spacegroup name	C 2 2 21
Unit cell lengths	84.830, 225.170, 200.700
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.042 - 2.060
R-factor	0.2777
Rwork	0.275
R-free	0.33080
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ly8
RMSD bond length	0.003
RMSD bond angle	0.647
Data reduction software	HKL-3000
Data scaling software	XSCALE
Phasing software	AMPLE
Refinement software	PHENIX (dev_2398)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.042	2.134
High resolution limit [Å]	2.060	2.060
Rmerge		0.852
Number of reflections	109047	10111
<I/σ(I)>	3.47
Completeness [%]	92.0	85.99
Redundancy	15
CC(1/2)	0.940

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	7.3	288.15	0.2 M Magnesium acetate, 14 % PEG8000 (pH 7.3)