3R1Z

Crystal structure of NYSGRC enolase target 200555, a putative dipeptide epimerase from Francisella philomiragia : Complex with L-Ala-L-Glu and L-Ala-D-Glu

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 31-ID
Synchrotron site	APS
Beamline	31-ID
Temperature [K]	98
Detector technology	CCD
Detector	RAYONIX MX225HE
Wavelength(s)	0.97905
Spacegroup name	P 41 21 2
Unit cell lengths	121.190, 121.190, 149.020
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.690 - 1.900
R-factor	0.1585
Rwork	0.157
R-free	0.18540
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.008
RMSD bond angle	1.242
Data reduction software	MOSFLM
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	PHENIX (1.7_650)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.000
High resolution limit [Å]	1.900	1.900
Rmerge	0.097	0.380
Number of reflections	85703
<I/σ(I)>	16.4	5.8
Completeness [%]	97.9	92.5
Redundancy	12.5	12.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	vapour diffusion, sitting drop	5.6	294	Protein: 10 mM HEPES pH 7.5, 150 mM Nacl, 10% glycerol, 5 mM DTT; Reservoir: 2M Ammonium Sulfate, 100 mM NaCitrate, 200 mM KNaTartrate; Soak: 2.2 M Ammonium sulfate, 100 mM MES pH 6.0, 18% glycerol, 50mM MgSO4, 25 mM L-Ala-L-Glu, 30 min, vapour diffusion, sitting drop, temperature 294K