8QK2

Structure of K.pneumoniae LpxH in complex with EBL-3339

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-09-08
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.976254
Spacegroup name	P 61 2 2
Unit cell lengths	60.204, 60.204, 286.779
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.960 - 1.950
R-factor	0.22506
Rwork	0.224
R-free	0.25271
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.199
Data reduction software	autoPROC
Data scaling software	Aimless
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0352)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.000
High resolution limit [Å]	1.950	1.950
Rmerge	0.090	1.672
Rmeas	0.094
Rpim	0.028	0.507
Number of reflections	21114	21114
<I/σ(I)>	20.5
Completeness [%]	88.5
Redundancy	20
CC(1/2)	0.999	0.792

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	293	Morpheus III screen, G6 1.2 % Cholic acid derivatives mix 0.1 M Buffer System 2 7.5 50 % Precipitant Mix 2