7KG2

Dihydrodipicolinate synthase (DHDPS) from C.jejuni, H59K mutant with pyruvate bound in the active site and L-histidine 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	2017-10-17
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9795
Spacegroup name	C 2 2 21
Unit cell lengths	84.780, 230.740, 202.200
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.630 - 1.890
R-factor	0.1714
Rwork	0.170
R-free	0.20690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ly8
Data reduction software	HKL-3000
Data scaling software	XSCALE
Phasing software	AMPLE
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.630	1.958
High resolution limit [Å]	1.890	1.890
Rmerge		0.807
Number of reflections	156110	15438
<I/σ(I)>	11.08
Completeness [%]	98.8	98.75
Redundancy	15
CC(1/2)	0.990

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	7.4	288.15	0.3 M Magnesium acetate, 10 % PEG8000, 0.1 M Sodium acetate (pH 7.4)