8P33

BB0238 from Borrelia burgdorferi

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-06-17
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9184
Spacegroup name	P 43 21 2
Unit cell lengths	55.549, 55.549, 95.164
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.310 - 2.100
R-factor	0.2124
Rwork	0.208
R-free	0.29740
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7ZXH
RMSD bond length	0.008
RMSD bond angle	1.517
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.970	2.160
High resolution limit [Å]	2.100	2.100
Rmerge	0.027	0.322
Number of reflections	9268	752
<I/σ(I)>	28.8	3.8
Completeness [%]	100.0
Redundancy	7
CC(1/2)	1.000	0.957

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	294	1.8 M D,L-malic acid pH 7.0