6P8B

E.coli LpxD in complex with peptide FITC-RJPXD33

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	CCD
Collection date	2014-10-30
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9774
Spacegroup name	P 32 2 1
Unit cell lengths	97.335, 97.335, 216.744
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	78.562 - 2.000
R-factor	0.1784
Rwork	0.177
R-free	0.21050
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]	84.290	84.290	2.040
High resolution limit [Å]	2.000	10.390	2.000
Rmerge	0.109	0.015	1.719
Rmeas	0.117	0.016	1.848
Rpim	0.043	0.006	0.674
Total number of observations	593868	4310	32608
Number of reflections	81230	691	4398
<I/σ(I)>	13.7	62.7	1.2
Completeness [%]	100.0	99.6	100
Redundancy	7.3	6.2	7.4
CC(1/2)	0.999	1.000	0.468

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	0.2M Mg Formate, 20% PEG3350