6NPF

Structure of E.coli enolase in complex with an analog of the natural product SF-2312 metabolite.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL14-1
Synchrotron site	SSRL
Beamline	BL14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2018-05-10
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	1.19499
Spacegroup name	P 21 21 21
Unit cell lengths	104.180, 143.110, 206.679
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	93.030 - 2.570
R-factor	0.19383
Rwork	0.191
R-free	0.25646
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6d3q
RMSD bond length	0.008
RMSD bond angle	1.599
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	93.030	2.620
High resolution limit [Å]	2.570	2.570
Rmerge	0.075	0.396
Rmeas	0.106	0.560
Rpim	0.075	0.396
Number of reflections	97620	4421
<I/σ(I)>	5.9	0.7
Completeness [%]	99.4	92.9
Redundancy	1.9	2
CC(1/2)	0.984	0.791

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	2.1 M Ammonium Sulfate, 0.1 M MES buffer pH 6.0, 0.2 M Sodium/Potassium tartrate