7LBD

Dihydrodipicolinate synthase (DHDPS) from C.jejuni, H59K mutant with pyruvate bound in the active site in C2221 space group

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	2017-01-20
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9795
Spacegroup name	C 2 2 21
Unit cell lengths	85.120, 232.140, 201.810
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.940 - 1.990
R-factor	0.1929
Rwork	0.191
R-free	0.22120
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]	43.940	2.061
High resolution limit [Å]	1.990	1.990
Rmerge		1.619
Rmeas	0.240
Rpim		0.749
Number of reflections	136388	38731
<I/σ(I)>	6.12
Completeness [%]	91.2	97.17
Redundancy	15
CC(1/2)	0.991	0.389

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	7.4	288.15	0.3 M Magnesium acetate, 12 % PEG8000, 0.1 M Sodium acetate (pH 7.4)