7K99

Crystal Structure of P. aeruginosa LpxC with N-Hydroxyformamide inhibitor 19

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	2019-08-03
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.00
Spacegroup name	P 1 21 1
Unit cell lengths	35.763, 158.047, 49.072
Unit cell angles	90.00, 101.90, 90.00

Refinement procedure

Resolution	35.510 - 1.900
R-factor	0.169
Rwork	0.166
R-free	0.22440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5u39
RMSD bond length	0.008
RMSD bond angle	1.550
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	1.930
High resolution limit [Å]	1.900	5.160	1.900
Rmerge	0.103	0.034	0.796
Rmeas	0.115	0.038	0.898
Rpim	0.050	0.016	0.404
Total number of observations	199786
Number of reflections	40247	2063	1912
<I/σ(I)>	6.9
Completeness [%]	96.5	97.4	92.7
Redundancy	5	5	4.4
CC(1/2)		0.997	0.424

Crystallization Conditions

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