4LY8

dihydrodipicolinate synthase from C. jejuni with pyruvate bound to the active site

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08B1-1
Synchrotron site	CLSI
Beamline	08B1-1
Detector technology	CCD
Collection date	2012-07-12
Detector	RAYONIX MX300HE
Wavelength(s)	0.9796
Spacegroup name	P 21 21 21
Unit cell lengths	81.254, 101.404, 147.960
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.010 - 1.700
R-factor	0.2114
Rwork	0.209
R-free	0.25550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ly8
RMSD bond length	0.006
RMSD bond angle	1.112
Data reduction software	d*TREK (9.9.9.4L)
Data scaling software	d*TREK (9.9.9.4L)
Phasing software	MOLREP
Refinement software	PHENIX (dev_1327)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.010	43.010	1.660
High resolution limit [Å]	1.600	3.450	1.600
Rmerge	0.129	0.064	0.541
Total number of observations		122578	54428
Number of reflections	158522
<I/σ(I)>	5.8	17.2	1.5
Completeness [%]	98.3	99.2	89.1
Redundancy	5.59	7.19	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	287	18% PEG4000, 0.25 mM sodium acetate, 0.1 mM TRIS, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 287K