3R10

Crystal structure of NYSGRC enolase target 200555, a putative dipeptide epimerase from Francisella philomiragia : Mg 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	120.680, 120.680, 150.020
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.337 - 2.000
R-factor	0.1614
Rwork	0.160
R-free	0.19070
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.008
RMSD bond angle	1.199
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]	94.032	30.798	2.110
High resolution limit [Å]	2.000	6.320	2.000
Rmerge		0.062	0.431
Total number of observations		67991	269714
Number of reflections	75258
<I/σ(I)>	22.2	10.2	1.8
Completeness [%]	100.0	99.1	100
Redundancy	27.8	26.1	24.9

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, 30 min, vapor diffusion, sitting drop, temperature 294K