9FZD

Structure of OmpA-long in complex with nanobody Nb39

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-07-01
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0000
Spacegroup name	I 2 2 2
Unit cell lengths	52.398, 52.572, 256.746
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.800 - 2.300
R-factor	0.2569
Rwork	0.256
R-free	0.28290
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.797
Data reduction software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.800	2.382
High resolution limit [Å]	2.300	2.300
Rmerge	0.071	0.898
Rmeas	0.074	0.933
Rpim	0.020	0.252
Number of reflections	16264	1601
<I/σ(I)>	22.03	3.17
Completeness [%]	99.6	99.94
Redundancy	13.2	13.5
CC(1/2)	0.999	0.879

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	0.1 M sodium chloride, 0.1 M sodium citrate, 12 % PEG 4K, 0.1 M LiSO4