7ZJJ

CspZ (BbCRASP-2) from Borrelia burgdorferi strain B379

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)	0.97625
Spacegroup name	P 2 21 21
Unit cell lengths	53.597, 59.950, 61.050
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.810 - 2.100
R-factor	0.2113
Rwork	0.209
R-free	0.26240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4cbe
RMSD bond length	0.009
RMSD bond angle	1.542
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]	61.050	2.160
High resolution limit [Å]	2.100	2.100
Rmerge	0.107	0.359
Number of reflections	11805	952
<I/σ(I)>	14.8	6.3
Completeness [%]	98.9
Redundancy	10.8
CC(1/2)	0.998	0.985

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	294	0.2 M ammonium citrate 24% PEG 3350