6D3Q

Crystal structure of Escherichia coli enolase complexed with a natural inhibitor SF2312.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-11-09
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9792
Spacegroup name	P 21 21 21
Unit cell lengths	104.751, 142.071, 207.280
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	207.280 - 2.240
R-factor	0.1657
Rwork	0.163
R-free	0.21610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6bfy
RMSD bond length	0.017
RMSD bond angle	1.812
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0189)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	207.280	2.340
High resolution limit [Å]	2.240	2.240
Rmerge	0.229	0.444
Rmeas	0.250
Rpim	0.098	0.142
Number of reflections	147731	17855
<I/σ(I)>	4.6
Completeness [%]	99.8	99.5
Redundancy	6.3	10.6
CC(1/2)	0.996	0.958

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	2.3 M Ammonium Sulfate, 0.2 M Na/K tartrate, 0.1M Mes pH 6.0 and 2 mM MgCl2