6TZU

Dihydrodipicolinate synthase (DHDPS) from C.jejuni, N84A mutant with pyruvate bound in the active site

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	CCD
Collection date	2018-06-23
Detector	RAYONIX MX300HE
Wavelength(s)	0.9795
Spacegroup name	C 2 2 21
Unit cell lengths	84.930, 225.810, 200.740
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.204 - 1.800
R-factor	0.1739
Rwork	0.172
R-free	0.20140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ly8
RMSD bond length	0.004
RMSD bond angle	0.768
Data scaling software	XSCALE (3.25)
Phasing software	PHENIX
Refinement software	PHENIX (dev_2398)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.204	49.204	1.910
High resolution limit [Å]	1.800	5.000	1.800
Rmerge	0.114	0.036	0.819
Rmeas	0.123	0.039	0.883
Total number of observations	1262447
Number of reflections	177638	8663	28689
<I/σ(I)>	12.71	35.34	2.26
Completeness [%]	100.0	99.7	100
Redundancy	7.107	6.689	7.142
CC(1/2)	0.998	0.999	0.796

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	7.4	288.15	0.1 M Magnesium acetate, 12 % PEG8000 0.1 M Sodium acetate (pH 7.4)