7CID

Crystal structure of P.aeruginosa LpxC in complex with inhibitor

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	2016-03-04
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.92819
Spacegroup name	P 21 21 21
Unit cell lengths	35.688, 84.225, 93.423
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.370 - 2.490
R-factor	0.2023
Rwork	0.200
R-free	0.23546
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3uhm
RMSD bond length	0.007
RMSD bond angle	1.537
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.360	2.560
High resolution limit [Å]	2.490	2.490
Rmerge	0.149	0.540
Number of reflections	9121	645
<I/σ(I)>	7.3	1.9
Completeness [%]	90.0	86.3
Redundancy	4	3.6
CC(1/2)	0.988	0.848

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	292	25% PEG 4K 0.2M MgCl2 0.1M Tris pH 8.5