4MLR

dihydrodipicolinate synthase from C. jejuni, Y110F mutation with pyruvate and Lysine

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 1 21 1
Unit cell lengths	90.983, 97.610, 131.398
Unit cell angles	90.00, 92.06, 90.00

Refinement procedure

Resolution	43.446 - 2.200
R-factor	0.2172
Rwork	0.214
R-free	0.26890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ly8
RMSD bond length	0.003
RMSD bond angle	0.860
Data reduction software	d*TREK (9.9.9.7L)
Data scaling software	d*TREK (9.9.9.7L)
Phasing software	MOLREP
Refinement software	PHENIX (dev_1356)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.450	43.450	2.280
High resolution limit [Å]	2.200	4.740	2.200
Rmerge	0.147	0.076	0.784
Total number of observations		49283	49430
Number of reflections	116487
<I/σ(I)>	4.5	13.3	1.4
Completeness [%]	99.9	99.6	100
Redundancy	4.17	4.07	4.24

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOUR DIFFUSION, HANGING DROP	8.5	288	17% PEG4000, 0.2 M sodium acetate, 0.1 mM TRIS, pH 8.5, VAPOUR DIFFUSION, HANGING DROP, temperature 288K