6MJP

LptB(E163Q)FGC from Vibrio cholerae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-06-14
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9792
Spacegroup name	C 1 2 1
Unit cell lengths	167.354, 80.729, 202.992
Unit cell angles	90.00, 112.18, 90.00

Refinement procedure

Resolution	49.265 - 2.850
R-factor	0.2434
Rwork	0.242
R-free	0.29170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6mit
Data reduction software	XDS
Data scaling software	Aimless (0.7.1)
Phasing software	PHASER (2.8.1)
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.270	2.930
High resolution limit [Å]	2.850	2.850
Rmerge	0.183	2.821
Rmeas	0.199	3.059
Rpim	0.078	1.172
Total number of observations	378386	30433
Number of reflections	58702	4558
<I/σ(I)>	7.4	0.8
Completeness [%]	99.6	100
Redundancy	6.4	6.7
CC(1/2)	0.995	0.305

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	41% PEG400, 100mM Tris pH =8.5, 200mM CaCl2