3T6C

Crystal structure of an enolase from pantoea ananatis (efi target efi-501676) with bound d-gluconate and mg

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
Collection date	2011-06-25
Detector	RAYONIX MX225HE
Wavelength(s)	0.97930
Spacegroup name	P 4 21 2
Unit cell lengths	130.790, 130.790, 104.680
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	21.223 - 1.598
R-factor	0.1396
Rwork	0.139
R-free	0.16770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3gy1
RMSD bond length	0.016
RMSD bond angle	1.771
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	PHENIX (1.7_650)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	1.630
High resolution limit [Å]	1.598	4.340	1.600
Rmerge	0.100	0.041	0.482
Number of reflections	118520
<I/σ(I)>	7.1
Completeness [%]	99.0	98.1	98.2
Redundancy	5.5	5.7	5.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	294	Protein (10 mM HEPES pH 7.8, 150 mM Nacl, 10% glycerol, 5 mM DTT, 5 mM MgCl2; Reservoir (1 M K/Na Tartrate, 100 mM MES pH 6.0); Soak (1 M K/Na Tartrate, 100 mM MES pH 6.0, 20% ethylene glycol, 70 mM NaGluconate) 1 min, vapour diffusion, sitting drop, temperature 294K, VAPOR DIFFUSION, SITTING DROP