8S2F

Crystal structure of Borrelia burgdorferi paralogous family 12 outer surface protein BBH37

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX IV BEAMLINE BioMAX
Synchrotron site	MAX IV
Beamline	BioMAX
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-07-08
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97625
Spacegroup name	P 21 21 21
Unit cell lengths	37.710, 90.920, 115.250
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	71.382 - 2.700
Rwork	0.221
R-free	0.30990
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.457
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	90.920	2.830
High resolution limit [Å]	2.700	2.700
Rmerge	0.132	0.545
Number of reflections	11500	1471
<I/σ(I)>	13.4	5.2
Completeness [%]	100.0	100
Redundancy	12.5	12.9
CC(1/2)	0.999	0.962

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	294	0.1 M sodium citrate pH 5.6 20% PEG 4000 20% 2-propanol