6P88

E.coli LpxD in complex with compound 6

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2014-08-24
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.000
Spacegroup name	P 32 2 1
Unit cell lengths	96.966, 96.966, 215.872
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	78.262 - 1.700
R-factor	0.1905
Rwork	0.189
R-free	0.21200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3eh0
Data reduction software	XDS
Data scaling software	SCALA (0.7.2)
Phasing software	PHASER
Refinement software	PHENIX (1.14_3211)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	78.260	78.260	1.730
High resolution limit [Å]	1.700	9.310	1.700
Rmerge	0.079	0.025	1.317
Rmeas	0.085	0.027	1.408
Rpim	0.029	0.009	0.491
Total number of observations	987283	7223	52191
Number of reflections	119674	922	6349
<I/σ(I)>	15.4	46.3	1.5
Completeness [%]	92.1	99.5	100
Redundancy	8.2	7.8	8.2
CC(1/2)	0.999	1.000	0.628

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	0.2M Mg formate, 20% PEG 3350