3THU

Crystal structure of an enolase from sphingomonas sp. ska58 (efi target efi-501683) 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	I 4 2 2
Unit cell lengths	124.799, 124.799, 343.092
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	171.546 - 1.800
R-factor	0.1397
Rwork	0.138
R-free	0.16460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2qjj
RMSD bond length	0.007
RMSD bond angle	1.057
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.16)
Phasing software	PHASES
Refinement software	PHENIX (1.7_650)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	171.546	171.546	1.900
High resolution limit [Å]	1.800	5.690	1.800
Rmerge		0.045	0.368
Total number of observations		57779	147895
Number of reflections	123065
<I/σ(I)>	23.8	12	2.1
Completeness [%]	98.6	99.9	90.6
Redundancy	12.9	13.5	9.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	298	Protein (10 mM Hepes, pH 7.8, 150 mM NaCl, 10% glycerol, 5 mM DTT, 5 mM MgCl2; Reservoir (25% Peg3350, 100 mM TRIS pH 8.5, 200 mM MgCl2); Cryoprotection (Reservoir + 20% glycerol), sitting drop vapor diffuction, temperature 298K, VAPOR DIFFUSION, SITTING DROP