3N2X

Crystal structure of YagE, a prophage protein belonging to the dihydrodipicolinic acid synthase family from E. coli K12 in complex with pyruvate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Wavelength(s)	0.973
Spacegroup name	P 21 21 2
Unit cell lengths	141.130, 153.550, 55.530
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.975 - 2.200
R-factor	0.181
Rwork	0.179
R-free	0.22200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2v8z
RMSD bond length	0.023
RMSD bond angle	1.866
Data scaling software	XSCALE
Refinement software	REFMAC (5.5.0072)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.975		2.250
High resolution limit [Å]	2.200	9.820	2.200
Rmerge	0.102	0.031	0.339
Rmeas	0.110	0.030	0.370
Number of reflections	62107	792	4362
<I/σ(I)>	16.93	37.1	5.9
Completeness [%]	99.3	97.1	96

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	6.5	298	100mM HEPES pH 6.5, 200mM MgCl2, 25% PEG 3350, Microbatch, temperature 298K