9NO5

Crystal structure of vWFA domain from LapA adhesin of Pseudomonas fluorescens

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2020-03-05
Detector	RIGAKU RAXIS IV
Wavelength(s)	2.29
Spacegroup name	P 21 21 21
Unit cell lengths	73.253, 84.226, 96.233
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.163 - 1.450
Rwork	0.170
R-free	0.18570
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	1.459
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	AutoSol
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.120	1.470
High resolution limit [Å]	1.450	1.450
Rmerge	0.078	0.941
Rmeas	0.081
Rpim	0.022	0.306
Number of reflections	105997	5193
<I/σ(I)>	20.1	2.6
Completeness [%]	100.0	100
Redundancy	13.1	11.2
CC(1/2)	0.999	0.867

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	5.5	295	PEG 8000, cacodylate, calcium acetate
1	MICROBATCH	5.5	295	PEG 8000, cacodylate, calcium acetate