7KG5

Dihydrodipicolinate synthase (DHDPS) from C.jejuni, H56W 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	2017-10-28
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9795
Spacegroup name	C 2 2 21
Unit cell lengths	85.130, 231.250, 202.100
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.298 - 1.950
R-factor	0.1757
Rwork	0.174
R-free	0.20960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ly8
RMSD bond length	0.006
RMSD bond angle	0.851
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]	46.298	2.020
High resolution limit [Å]	1.950	1.950
Rmerge		0.840
Number of reflections	142098	14097
<I/σ(I)>	10.71
Completeness [%]	98.1	98.1
Redundancy	15
CC(1/2)	0.990

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	7.3	288.15	0.2 M Magnesium acetate, 14 % PEG8000 (pH 7.3)