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 |