8S2P

Crystal structure of Borrelia burgdorferi paralogous family 12 outer surface protein BBH37 (space group p21)

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-08-02
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.91840
Spacegroup name	P 1 21 1
Unit cell lengths	30.090, 75.570, 113.160
Unit cell angles	90.00, 89.99, 90.00

Refinement procedure

Resolution	62.924 - 2.200
Rwork	0.248
R-free	0.30960
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	1.686
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]	62.924	2.320
High resolution limit [Å]	2.200	2.200
Rmerge	0.072	0.368
Number of reflections	18923	2791
<I/σ(I)>	5.4	2.3
Completeness [%]	73.5
Redundancy	1.9
CC(1/2)	0.997	0.659

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	0.01 M MnCl2 0.1 M sodium citrate pH 5.6 2.5 M 1,6-hexanediol