8S7F

Crystal structure of Escherichia coli LpxH in complex with EBL-2805

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-07-22
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.91589
Spacegroup name	C 1 2 1
Unit cell lengths	79.563, 52.271, 86.355
Unit cell angles	90.00, 111.22, 90.00

Refinement procedure

Resolution	80.500 - 1.600
R-factor	0.18548
Rwork	0.184
R-free	0.20576
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.041
Data reduction software	autoPROC
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0352)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	80.500	1.630
High resolution limit [Å]	1.600	1.600
Number of reflections	43761	43761
<I/σ(I)>	11.1
Completeness [%]	100.0
Redundancy	8.2
CC(1/2)	0.999	0.753

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	295	3% w/v CHAPS, 3% w/v CHAPSO, 3% w/v Sodium glycocholate hydrate, 3% w/v Taurocholic acid sodium salt hydrate Tris (base); BICINE, pH 8.5 40% v/v Ethylene glycol 20 % w/v PEG 8000