3R11

Crystal structure of NYSGRC enolase target 200555, a putative dipeptide epimerase from Francisella philomiragia : Mg and Fumarate complex

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	120.930, 120.930, 149.300
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.323 - 2.000
R-factor	0.1513
Rwork	0.150
R-free	0.18090
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.008
RMSD bond angle	1.187
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHENIX
Refinement software	PHENIX (1.7_650)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	93.971	30.719	2.110
High resolution limit [Å]	2.000	6.320	2.000
Rmerge		0.037	0.408
Total number of observations		34191	144413
Number of reflections	75220
<I/σ(I)>	16.3	15.4	1.8
Completeness [%]	100.0	99.2	100
Redundancy	13.6	13.1	13.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR 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, 50 mM Fumarate, 30 min, vapor diffusion, sitting drop, temperature 294K