6P9Q

E.coli LpxA in complex with UDP-3-O-(R-3-hydroxymyristoyl)-GlcNAc and Compound 2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2015-10-26
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 21 3
Unit cell lengths	97.125, 97.125, 97.125
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.651 - 1.700
R-factor	0.1659
Rwork	0.165
R-free	0.19100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1lxa
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]	97.120	97.120	1.730
High resolution limit [Å]	1.700	9.000	1.700
Rmerge	0.051	0.019	0.589
Rmeas	0.056	0.020	0.770
Rpim	0.021	0.008	0.490
Total number of observations	177289	1579	845
Number of reflections	31019	264	677
<I/σ(I)>	20.3	64.6	0.8
Completeness [%]	91.7	98.5	39
Redundancy	5.7	6	1.2
CC(1/2)	0.999	0.999	0.661

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	0.1M Na/K phosphate, 10% PEG 1000