7KH4

Dihydrodipicolinate synthase (DHDPS) from C.jejuni, H56W 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	2018-10-10
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9795
Spacegroup name	C 2 2 21
Unit cell lengths	84.410, 225.290, 199.410
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.896 - 1.750
R-factor	0.158
Rwork	0.157
R-free	0.18520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ly8
RMSD bond length	0.009
RMSD bond angle	1.125
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]	48.896	1.813
High resolution limit [Å]	1.750	1.750
Rmerge		0.604
Number of reflections	190178	18744
<I/σ(I)>	12.84
Completeness [%]	99.9	99.41
Redundancy	15
CC(1/2)	0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH		288.15	0.2 M Magnesium acetate, 14 % PEG8000 (pH 7.3), 120 mMR, R-BisLysine