8QK5

Structure of K. pneumoniae LpxH in complex with EBL-3647

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-06-21
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.965459
Spacegroup name	P 61 2 2
Unit cell lengths	60.418, 60.418, 287.692
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.650 - 1.950
R-factor	0.24195
Rwork	0.240
R-free	0.28192
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.335
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]	30.000	2.000
High resolution limit [Å]	1.950	1.950
Number of reflections	23964	23964
<I/σ(I)>	12.5
Completeness [%]	99.9
Redundancy	7.7
CC(1/2)	0.999	0.652

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8.5	293	Morpheus III - G11 1.2 % Cholic acid derivatives mix 0.1 M Buffer System 3 8.5 50 % Precipitant Mix 3