8QCO

E.coli IspE in complex with a ligand (3)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	80
Detector technology	PIXEL
Collection date	2023-07-08
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9
Spacegroup name	C 1 2 1
Unit cell lengths	145.674, 53.162, 91.968
Unit cell angles	90.00, 127.68, 90.00

Refinement procedure

Resolution	48.280 - 1.550
R-factor	0.2109
Rwork	0.209
R-free	0.24170
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.321
Phasing software	PHENIX (1.20.1_4487)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.280	1.605
High resolution limit [Å]	1.550	1.550
Rmerge	0.046	0.911
Number of reflections	79873	79873
<I/σ(I)>	10.4	1
Completeness [%]	98.2
Redundancy	2.8	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		291.15	25% PEG 4k; 200mM MgCl2; 100mM MES pH 6.5