8P32

BB0238 from Borrelia burgdorferi, Se-Met data for Leu240Met mutant

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)	0.97880
Spacegroup name	P 43 21 2
Unit cell lengths	55.259, 55.259, 94.529
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.710 - 2.150
R-factor	0.2045
Rwork	0.202
R-free	0.25730
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.610
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	SHELXCD
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	94.530	2.210
High resolution limit [Å]	2.150	2.150
Rmerge	0.086	0.332
Number of reflections	8541	674
<I/σ(I)>	24.1	9.8
Completeness [%]	100.0	100
Redundancy	13.1
CC(1/2)	0.998	0.982

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	294	2.6 M ammonium sulfate 0.1 M MES pH 6.5