7KEL

Dihydrodipicolinate synthase (DHDPS) from C.jejuni, H59K 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	2017-10-17
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97949
Spacegroup name	P 1 21 1
Unit cell lengths	82.880, 201.440, 113.660
Unit cell angles	90.00, 108.45, 90.00

Refinement procedure

Resolution	38.583 - 2.100
R-factor	0.208
Rwork	0.206
R-free	0.25260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ly8
RMSD bond length	0.002
RMSD bond angle	0.613
Data reduction software	HKL-3000
Data scaling software	XSCALE
Phasing software	AMPLE
Refinement software	PHENIX (dev_2398)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.583	2.175
High resolution limit [Å]	2.100	2.100
Rmerge		0.686
Number of reflections	204501	20464
<I/σ(I)>	6.79
Completeness [%]	99.6	99.87
Redundancy	15
CC(1/2)	0.900

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	7.4	288.15	0.3 M Magnesium acetate, 10 % PEG8000, 0.1 M Sodium acetate (pH 7.4)