7T25
OspA-Fab 319-44 complex structure
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-E |
| Synchrotron site | APS |
| Beamline | 24-ID-E |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-06-26 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.979 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 254.208, 44.117, 143.219 |
| Unit cell angles | 90.00, 101.23, 90.00 |
Refinement procedure
| Resolution | 46.949 - 2.250 |
| R-factor | 0.1933 |
| Rwork | 0.191 |
| R-free | 0.23260 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4zd3 1fj1 |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.694 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.290 |
| High resolution limit [Å] | 2.250 | 6.100 | 2.250 |
| Rmerge | 0.132 | 0.063 | 0.796 |
| Rmeas | 0.152 | 0.071 | 0.932 |
| Rpim | 0.074 | 0.031 | 0.472 |
| Total number of observations | 307815 | ||
| Number of reflections | 74086 | 4063 | 3646 |
| <I/σ(I)> | 6 | ||
| Completeness [%] | 96.4 | 99.5 | 95.3 |
| Redundancy | 4.2 | 5.1 | 3.8 |
| CC(1/2) | 0.996 | 0.320 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 200 mM ammonium iodide and 20% PEG 3350 |
