6MFY

Crystal structure of a 5-domain construct of LgrA in the substrate donation state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-08-10
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	89.863, 141.114, 171.532
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	85.766 - 2.500
R-factor	0.2395
Rwork	0.238
R-free	0.26640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6mfw
RMSD bond length	0.010
RMSD bond angle	1.128
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	147.530	2.550
High resolution limit [Å]	2.500	2.500
Rmerge	0.095
Number of reflections	80942	4330
<I/σ(I)>	17.4	2
Completeness [%]	99.7
Redundancy	12.3
CC(1/2)		0.475

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.2	277	0.2 M sodium/potassium phosphate, 22% PEG3350, 0.1 M Bis-Tris propane, pH 7.2