7KLQ

Dihydrodipicolinate synthase (DHDPS) from C.jejuni, H59A mutant with pyruvate bound in the active site

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER X8 PROTEUM
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-02-09
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.5418
Spacegroup name	C 2 2 21
Unit cell lengths	84.974, 231.827, 202.228
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.760 - 2.500
R-factor	0.2075
Rwork	0.205
R-free	0.24960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ly8
Data reduction software	PROTEUM PLUS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	22.760	2.589
High resolution limit [Å]	2.500	2.500
Rmerge		1.010
Number of reflections	69244	6842
<I/σ(I)>	32.6
Completeness [%]	99.8	100
Redundancy	15
CC(1/2)	0.990

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	7.4	288.15	0.9 M Magnesium acetate, 8 % PEG8000, 0.1 M Sodium acetate (pH 7.4),