8QCN

E.coli IspE in complex with a ligand (2)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	80
Detector technology	PIXEL
Collection date	2023-04-28
Detector	DECTRIS PILATUS3 X 2M
Wavelength(s)	0.62
Spacegroup name	C 1 2 1
Unit cell lengths	143.928, 53.113, 91.717
Unit cell angles	90.00, 127.39, 90.00

Refinement procedure

Resolution	45.950 - 1.860
R-factor	0.2291
Rwork	0.227
R-free	0.26640
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.664
Phasing software	PHENIX (1.20.1_4487)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.950	1.926
High resolution limit [Å]	1.860	1.860
Rmerge	0.058	0.680
Number of reflections	45832	4238
<I/σ(I)>	7.6
Completeness [%]	99.1	84.89
Redundancy	2.4

Crystallization Conditions

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