7M06

Dihydrodipicolinate synthase (DHDPS) from C.jejuni, Y110F mutant with R,R-bislysine bound at the allosteric site at 2.7 Angstrom

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08B1-1
Synchrotron site	CLSI
Beamline	08B1-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-02-24
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	72.030, 84.290, 200.940
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.150 - 2.700
R-factor	0.1961
Rwork	0.194
R-free	0.24180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ly8
Data reduction software	HKL-3000
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.150	2.797
High resolution limit [Å]	2.700	2.700
Rmerge	0.035	0.283
Rmeas	0.050	0.400
Number of reflections	34342	3362
<I/σ(I)>	17.29	2.82
Completeness [%]	99.7	99.82
Redundancy	14
CC(1/2)	0.998	0.859

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH		288.15	0.2 M Magnesium acetate, 10% PEG 8000