3TJI

CRYSTAL STRUCTURE OF AN ENOLASE FROM ENTEROBACTER sp. 638 (EFI TARGET EFI-501662) with BOUND MG

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 31-ID
Synchrotron site	APS
Beamline	31-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2011-08-01
Detector	RAYONIX MX225HE
Wavelength(s)	0.9793
Spacegroup name	P 42 21 2
Unit cell lengths	182.150, 182.150, 104.800
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	128.800 - 1.800
R-factor	0.2523
Rwork	0.252
R-free	0.28190
Structure solution method	MIR
Starting model (for MR)	3gy1
RMSD bond length	0.011
RMSD bond angle	1.274
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.9)
Phasing software	PHASES
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	182.149	182.149	1.900
High resolution limit [Å]	1.799	5.690	1.800
Rmerge		0.068	0.497
Total number of observations		72800	140503
Number of reflections	162263
<I/σ(I)>	8.1	6.7	1.5
Completeness [%]	99.9	99.8	99.8
Redundancy	9.4	13.1	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	298	Protein (10 mM Hepes, pH 7.8, 150 mM NaCl, 10% glycerol, 5 mM DTT, 5 mM MgCl2; Reservoir (2.5M NaCl, 100 mM Tris pH 7.5, 200 mM MgCl2); Cryoprotection (Reservoir + 20% glycerol), sitting drop vapor diffuction, temperature 298K, VAPOR DIFFUSION, SITTING DROP