8QJZ

Crystal structure of E. coli LpxH in complex with lipid X

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	2019-04-11
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.91589
Spacegroup name	C 1 2 1
Unit cell lengths	123.827, 81.392, 33.127
Unit cell angles	90.00, 100.32, 90.00

Refinement procedure

Resolution	30.000 - 1.350
R-factor	0.17224
Rwork	0.171
R-free	0.18733
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.281
Data reduction software	autoPROC
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.8.0352)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	67.600	1.420
High resolution limit [Å]	1.350	1.350
Number of reflections	70366	9911
<I/σ(I)>	11.1
Completeness [%]	99.0
Redundancy	6.1
CC(1/2)	0.999	0.827

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	293	Morpheus III (G7) 1.2 % Cholic acid derivatives mix 0.1 M Buffer System 2 7.5 50 % Precipitant Mix 3