7K9A

Crystal Structure of P. aeruginosa LpxC with N-Hydroxyformamide inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2019-07-25
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97926
Spacegroup name	P 1 21 1
Unit cell lengths	35.621, 157.351, 48.846
Unit cell angles	90.00, 101.64, 90.00

Refinement procedure

Resolution	47.890 - 2.000
R-factor	0.1684
Rwork	0.166
R-free	0.22210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5u39
RMSD bond length	0.008
RMSD bond angle	1.496
Data reduction software	HKL-3000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.030
High resolution limit [Å]	2.000	5.430	2.000
Rmerge	0.116	0.085	0.433
Rmeas	0.130	0.095	0.493
Rpim	0.057	0.040	0.230
Total number of observations	161786
Number of reflections	34441	1768	1590
<I/σ(I)>	5.2
Completeness [%]	97.6	98.3	91.3
Redundancy	4.7	5	4
CC(1/2)		0.984	0.841

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	1.6 M AmSO4, 0.5 M LiCl