7KN2

Dihydrodipicolinate synthase (DHDPS) from C.jejuni, E88A mutant with pyruvate bound in the active 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	2019-08-30
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9795
Spacegroup name	C 2 2 21
Unit cell lengths	85.130, 232.950, 202.060
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.050 - 2.530
R-factor	0.2176
Rwork	0.216
R-free	0.25620
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]	44.050	2.620
High resolution limit [Å]	2.530	2.530
Rmerge		1.010
Number of reflections	67295	6623
<I/σ(I)>	9.3
Completeness [%]	99.9	99.94
Redundancy	15
CC(1/2)	0.990

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	7.4	288.15	0.5 M Magnesium acetate, 8 % PEG8000, 0.1 M Sodium acetate (pH 7.4)