4MLJ

dihydrodipicolinate synthase from C. jejuni, Y110F mutation with pyruvate bound to 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	CCD
Collection date	2012-07-12
Detector	RAYONIX MX300HE
Wavelength(s)	0.9796
Spacegroup name	P 21 21 21
Unit cell lengths	80.610, 97.240, 148.460
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.620 - 2.300
R-factor	0.1438
Rwork	0.141
R-free	0.19990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ly8
RMSD bond length	0.007
RMSD bond angle	1.079
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX (dev_1356)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		1.500
High resolution limit [Å]	1.410	4.220	1.410
Rmerge	0.430	0.090	0.090
Number of reflections	52574	8849	7175
<I/σ(I)>	4.21	21.7	0.09
Completeness [%]	79.4	99.9	20

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	288	18% PEG4000, 0.2 M sodium acetate, 0.1 mM TRIS, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 288K