7KOC

Dihydrodipicolinate synthase (DHDPS) from C.jejuni, E88Q 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	2019-11-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	C 2 2 21
Unit cell lengths	85.250, 233.320, 202.330
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.410 - 2.060
R-factor	0.1644
Rwork	0.163
R-free	0.19130
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]	46.410	2.134
High resolution limit [Å]	2.060	2.060
Rmerge		0.867
Number of reflections	124406	12352
<I/σ(I)>	16.52
Completeness [%]	100.0	99.98
Redundancy	15
CC(1/2)	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	7.4	288.15	0.7 M Magnesium acetate, 10 % PEG 8000, 0.1 M Sodium acetate (pH 7.4)