8BDW

Crystal structure of CnaB2 domain from Lactobacillus plantarum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-03-24
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9802
Spacegroup name	P 32 2 1
Unit cell lengths	120.060, 120.060, 230.915
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	104.000 - 1.860
Rwork	0.154
R-free	0.18700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Homology model built with SwissModel using 3PHS as starting model
RMSD bond length	0.020
RMSD bond angle	1.458
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (V1.18RC4-3812-000)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	104.000	1.930
High resolution limit [Å]	1.863	1.863
Rmerge	0.077	0.848
Rmeas	0.081	0.947
Rpim	0.026	0.405
Number of reflections	158616	13576
<I/σ(I)>	17.85	1.18
Completeness [%]	98.5	85.01
Redundancy	9.4	4.5
CC(1/2)	0.999	0.730

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	292.15	1.5 M ammoniumsulfate, 0.1 M Tris-HCl pH 8.5