8CKH

Crystal structure of IspE from Klebsiella pneumoniae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	80
Detector technology	PIXEL
Collection date	2021-09-26
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0007
Spacegroup name	P 21 21 21
Unit cell lengths	65.870, 76.781, 98.517
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.580 - 1.800
R-factor	0.19
Rwork	0.188
R-free	0.22670
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.795
Data scaling software	Aimless (1.20.1_4487)
Phasing software	PHENIX (1.20.1_4487)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.580	1.800
High resolution limit [Å]	1.800	1.800
Rmerge	0.079
Rmeas	0.087	0.695
Number of reflections	46367	4526
<I/σ(I)>	11
Completeness [%]	98.5	97.41
Redundancy	6.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291.15	100 mM HEPES pH7.0 1 M Sodium citrate