7ZJK

CspZ (BbCRASP-2) from Borrelia burgdorferi strain B408

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)	0.97980
Spacegroup name	P 1 21 1
Unit cell lengths	47.631, 87.485, 48.862
Unit cell angles	90.00, 97.10, 90.00

Refinement procedure

Resolution	48.490 - 2.450
R-factor	0.1993
Rwork	0.196
R-free	0.26230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4cbe
RMSD bond length	0.008
RMSD bond angle	1.448
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.490	2.550
High resolution limit [Å]	2.450	2.450
Rmerge	0.097	0.388
Number of reflections	14406	1435
<I/σ(I)>	12.1	4.2
Completeness [%]	98.2
Redundancy	6.7
CC(1/2)	0.997	0.940

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	294	0.2 M potassium acetate 0.1 M Tris-HCl (pH 8.0) 28% PEG 3350